data_1e9t_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 1e9t _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 10' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.9 mt-30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.38 41.25 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.95 42.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -95.7 152.13 38.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.553 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 160.19 -24.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.67 7.11 44.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.535 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -124.25 11.13 8.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.717 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.0 mmt85 -77.01 116.91 18.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 43.8 t -81.63 -8.9 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.436 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 6.0 t0 58.75 115.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.93 -20.92 29.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 66.62 93.41 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.591 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.1 m-85 -140.21 148.97 56.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -75.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.633 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.98 84.88 6.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.591 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.8 m -95.99 136.37 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.564 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.0 p -151.61 171.46 6.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.92 39.54 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.53 -45.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.574 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.6 tt0 -72.62 -38.26 67.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.45 -27.79 60.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.267 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.453 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.5 m120 -93.45 -0.84 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 20.8 t30 -101.61 -41.58 6.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.418 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.18 -29.01 60.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 74.99 0.31 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.84 -159.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.23 152.87 37.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 108.323 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 27' ' ' THR . 82.0 t80 -117.74 173.39 6.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.9 t70 178.95 142.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.593 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.7 p -135.35 17.74 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -60.22 -42.85 96.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.447 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -150.64 133.87 8.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.07 -30.57 6.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.93 -28.98 4.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.544 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -105.53 171.32 4.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 88.86 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.593 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -30.36 -55.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.987 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -92.45 113.94 26.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 108.315 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.717 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -135.28 164.87 26.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -65.74 161.56 52.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.99 124.21 8.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -35.09 133.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.3 pt20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.49 43.13 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.265 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.81 40.53 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.541 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -93.68 152.42 40.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.529 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 -58.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 160.76 -24.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.4 4.51 53.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.541 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -121.7 11.17 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.714 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.6 mmt85 -76.47 116.09 16.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -81.61 -10.49 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.5 t0 59.09 117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -23.81 30.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.25 91.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.6 m-85 -139.26 147.81 54.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -71.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.631 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -91.4 84.99 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.629 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.3 m -96.37 135.33 30.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.523 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.2 p -148.88 169.75 8.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.6 Cg_endo -74.99 38.75 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.053 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.07 -40.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.1 tp10 -76.69 -40.61 48.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -69.74 -35.22 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.287 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -85.85 -3.09 58.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.7 t30 -100.61 -40.04 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.502 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -56.99 -26.32 59.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.7 73.07 0.33 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.99 -158.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.82 151.71 39.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.9 t80 -116.32 173.92 6.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 30.5 t70 178.21 142.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.603 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.2 p -135.85 15.5 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -59.14 -39.4 82.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.439 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.33 131.81 6.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.96 -31.74 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.9 -29.07 3.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.554 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -105.57 171.73 4.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 90.26 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.603 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -31.72 -55.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -92.44 113.4 25.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.303 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.714 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -134.37 164.22 27.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.8 mtpt -63.8 162.21 30.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.475 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.04 124.25 8.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -37.12 132.0 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 41.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.13 38.21 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.544 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -92.32 151.67 41.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.535 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.99 -57.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.551 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 160.35 -23.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.12 5.55 51.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.3 m-20 -123.0 11.03 9.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.709 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.9 mmt85 -76.34 116.48 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 87.7 t -82.26 -9.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 2.2 t70 58.95 116.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.61 -23.42 29.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.13 91.88 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.597 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.3 m-85 -138.95 148.84 59.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -76.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.63 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.8 83.42 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.3 m -94.15 136.51 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.565 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -152.26 169.87 8.87 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.588 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.92 39.06 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' HA ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.83 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.496 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.7 tt0 -78.88 -37.26 40.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.96 -28.8 60.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.659 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.9 p30 -94.21 3.25 55.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.0 t-20 -104.56 -42.14 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -30.09 62.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.83 75.21 0.26 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.37 -159.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -120.37 152.37 37.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.288 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.588 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.2 t80 -118.14 173.21 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.9 t70 179.83 145.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.8 p -140.13 16.4 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -33.94 76.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.49 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.23 129.48 4.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.01 -33.07 4.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.73 -28.1 1.56 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -106.12 172.02 4.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.55 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.03 89.4 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.7 m0 -31.1 -55.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.59 112.16 24.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 108.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.709 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -133.24 163.98 28.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -64.37 161.92 38.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 123.32 7.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.471 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -37.34 138.05 0.34 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -113.93 47.02 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.75 51.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.528 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.98 150.37 40.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 1.4 7.79 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.576 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.35 -27.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 9.94 21.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -133.91 20.01 3.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.826 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.6 mmt180 -75.87 136.36 40.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 13.3 t -95.88 -3.98 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.3 t70 50.94 102.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.5 -22.67 60.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.67 93.8 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -139.67 149.11 58.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.97 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -77.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.646 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.43 83.53 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.587 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.5 m -93.78 135.25 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.561 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -151.02 170.68 7.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.02 39.08 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.12 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.59 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -76.26 -39.54 54.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.64 -30.78 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -92.29 1.09 57.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.0 t-20 -101.92 -41.07 6.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -30.34 66.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.31 75.57 0.25 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.0 -159.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.5 m -120.62 151.23 39.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 108.255 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.0 t80 -117.17 173.33 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.3 t70 -179.5 145.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.583 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.7 p -135.63 14.3 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -48.22 80.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.492 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.81 136.15 12.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.03 -37.39 2.03 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.63 -46.38 2.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.492 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -88.1 170.87 10.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 92.56 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.583 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.82 -52.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.988 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.85 112.55 24.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.826 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.7 p90 -132.55 162.87 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -65.95 163.84 33.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.491 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -75.02 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.528 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.2 tt -33.83 134.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.61 45.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.83 40.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -94.01 152.34 40.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.05 -57.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 158.78 -22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.34 2.85 56.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.534 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -119.8 11.38 11.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.734 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.1 mmt85 -77.07 117.55 18.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' ASP . 49.0 t -83.56 -9.18 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.4 t0 59.88 117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.68 -20.88 28.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.11 92.89 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 m-85 -139.83 148.36 55.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -75.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.631 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -88.46 84.35 6.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.5 m -95.77 137.92 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.584 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -152.56 172.08 5.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.95 40.24 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.54 -49.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.528 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 5.1 tt0 -66.88 -43.86 82.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -65.0 -34.04 77.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 10.5 t30 -90.35 -1.61 57.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 34.9 t-20 -95.52 -39.45 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -27.41 68.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.87 73.72 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.64 -158.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.505 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -121.19 152.18 39.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 108.339 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.8 t80 -117.85 173.44 6.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.6 t70 -179.11 144.05 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.584 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.4 p -136.26 14.63 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.041 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -58.69 -41.94 87.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.431 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.0 135.59 9.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.406 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -36.49 2.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.57 -39.74 1.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.534 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -95.24 171.16 6.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 91.28 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.584 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -31.66 -55.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 108.047 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.9 113.6 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.734 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -133.88 163.41 29.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -61.75 162.49 16.11 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.0 121.22 6.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -37.23 134.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.422 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.3 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.18 46.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.27 54.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.553 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.63 151.7 42.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.553 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 1.68 7.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.58 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 87.09 -27.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.78 6.3 35.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -129.99 20.35 5.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.5 mmt180 -76.06 140.24 41.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.462 ' O ' ' O ' ' A' ' 20' ' ' ASP . 54.5 t -99.9 -1.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 19' ' ' VAL . 7.6 t0 48.18 99.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.85 -22.35 61.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.0 93.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.9 m-85 -139.21 148.8 58.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -76.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.639 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.96 84.55 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 0.0 109.569 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.583 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.4 m -95.32 134.45 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.541 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -150.01 171.38 6.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 38.86 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.508 ' N ' HD21 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.23 -42.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.574 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.2 tt0 -75.04 -37.97 61.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.4 -27.34 60.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.272 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.508 HD21 ' N ' ' A' ' 29' ' ' LYS . 1.3 m-80 -94.8 0.12 54.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 15.5 t30 -101.03 -41.44 6.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -29.16 64.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.53 76.2 0.36 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.53 -158.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.4 m -121.41 151.53 40.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.5 t80 -117.5 173.49 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.2 t70 -180.0 144.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.579 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 85.4 p -133.76 14.63 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.071 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -51.35 69.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.54 135.71 14.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.364 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 -37.02 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.47 -44.01 2.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -90.35 171.75 8.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.06 93.38 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.579 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.3 m0 -33.66 -53.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.42 111.11 22.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 108.33 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -130.88 162.19 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.4 mtpt -66.4 166.62 16.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.573 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.03 122.48 7.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.2 tt -33.74 144.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.492 ' N ' HE21 ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.62 44.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.29 54.58 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.539 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -94.2 151.29 39.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.539 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 2.94 6.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.599 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 85.57 -25.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 5.51 44.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -129.81 20.78 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -76.22 135.97 39.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' ASP . 93.4 t -95.41 -3.12 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.6 t0 49.74 99.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -22.58 62.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.48 92.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -138.35 149.06 61.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.641 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.49 84.32 7.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.587 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.0 m -94.79 134.89 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.566 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -149.98 171.21 6.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 39.41 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.43 -44.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.562 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.4 tt0 -72.91 -40.51 65.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.84 -30.68 67.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 108.239 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -92.79 1.98 56.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.5 t-20 -102.5 -40.29 6.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.53 -28.49 67.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.32 75.54 0.31 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.43 -159.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 m -121.47 150.92 40.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -116.02 173.1 6.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 29.0 t70 179.12 144.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.586 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.2 p -133.77 15.92 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -50.52 72.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.42 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -144.56 136.16 12.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.99 -38.73 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.84 -31.99 0.49 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -101.47 170.41 6.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 91.6 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.586 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -33.47 -52.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.02 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.17 112.26 24.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 108.295 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -132.65 161.43 33.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.507 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.0 mtpt -64.92 163.72 27.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 116.93 4.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.538 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.1 tt -33.09 131.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 41.75 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.12 40.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.52 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -93.06 152.45 41.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.02 -59.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.538 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 161.72 -23.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.95 4.49 53.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.52 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -121.66 11.12 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.0 mmt85 -77.18 118.67 19.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -85.22 -8.36 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.8 t70 58.75 118.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -26.06 26.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.248 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.8 90.14 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.586 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.5 m-85 -139.26 147.46 53.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -74.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.616 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.32 82.76 7.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.57 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.586 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.7 m -94.64 138.46 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.541 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -151.57 170.93 7.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 39.97 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 27' ' ' THR . 10.8 tptm -178.32 -47.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.587 ' OE2' ' CE1' ' A' ' 25' ' ' HIS . 2.2 tp10 -68.9 -43.39 75.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -65.97 -37.52 86.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 108.341 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -83.55 -8.33 59.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 12.2 t-20 -93.76 -41.22 9.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.532 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.15 -22.45 28.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.47 72.01 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.01 -156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.495 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -122.93 151.67 41.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.6 t80 -117.31 173.87 6.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.566 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 33.2 t70 -179.58 142.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.591 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.6 p -136.11 16.33 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -37.89 88.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.431 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -153.42 132.31 6.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -34.19 3.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.87 -40.67 2.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.536 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -95.1 172.89 4.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 93.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.79 -54.24 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 107.983 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -93.8 112.24 24.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 108.349 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.3 p90 -132.65 164.58 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -63.27 162.36 25.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.97 121.44 6.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -35.25 126.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -113.84 46.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.94 52.51 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.517 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.3 150.39 38.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.535 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 3.12 5.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.789 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.611 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 85.83 -22.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.52 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -90.63 5.3 48.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.495 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.41 21.54 5.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.824 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.2 mmt180 -76.05 136.35 39.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 20' ' ' ASP . 12.5 t -96.4 0.07 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.4 t70 46.12 97.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -23.79 64.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 108.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.23 93.77 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.8 m-85 -139.29 148.51 57.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.642 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.11 84.72 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.621 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.578 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -95.72 137.11 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.585 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -151.23 172.15 5.69 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.592 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 40.22 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.1 tttt -178.84 -49.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.581 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.3 tt0 -66.55 -44.26 82.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.59 -34.94 79.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.274 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 12.7 t30 -89.31 -1.42 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.5 t30 -96.15 -38.59 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.72 -27.02 68.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.99 74.57 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.27 -158.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.2 m -122.02 151.06 41.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.287 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.4 t80 -115.95 173.14 6.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 30.6 t70 179.55 144.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.588 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.7 p -133.39 16.3 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.66 -51.87 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.423 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -142.86 135.04 13.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -37.64 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.05 -30.37 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.41 HG12 ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -103.04 171.06 5.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 92.08 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.588 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -34.31 -52.94 0.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 107.969 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.7 t -93.9 111.59 23.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 108.336 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.824 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.9 p90 -131.87 161.8 32.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -64.44 163.22 27.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.495 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 116.41 4.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.532 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -33.27 133.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.3 mp0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.06 43.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.29 53.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.513 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.68 149.85 36.63 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 2.93 6.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.616 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 86.22 -20.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.521 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.45 5.3 49.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.89 21.62 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.831 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.9 mmt180 -75.33 137.17 40.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 20' ' ' ASP . 20.7 t -96.93 -4.03 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER 49.4 99.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -23.89 61.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.86 93.52 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -138.76 148.62 59.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -77.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.642 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -86.28 82.32 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.58 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.0 m -92.44 136.06 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.9 p -151.06 170.2 8.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.95 39.51 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.79 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -76.02 -40.01 54.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.14 -29.25 63.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.28 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -94.23 2.24 55.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.3 t30 -103.1 -42.37 5.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -28.25 59.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.93 75.22 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.77 -159.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 m -121.05 152.09 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 108.349 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.4 t80 -117.39 173.28 6.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.553 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.0 t70 179.53 145.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.593 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.0 p -136.56 16.32 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -46.76 87.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -146.09 133.48 10.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 -37.81 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.88 -29.13 0.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.26 170.98 5.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 91.56 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.593 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.0 m0 -33.76 -53.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.017 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -93.13 113.32 25.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.262 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.831 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.9 p90 -134.08 162.42 32.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -66.06 163.54 36.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 118.51 5.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.496 ' C ' ' O ' ' A' ' 51' ' ' PRO . 3.3 tt -33.11 137.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 45.52 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.69 44.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.526 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -99.45 155.76 36.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 -58.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.588 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 160.46 -25.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -4.62 57.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -113.56 14.65 19.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.788 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 4.8 mmt180 -77.03 103.03 6.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 20' ' ' ASP . 40.4 t -64.83 -14.68 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.6 t70 59.46 117.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -22.01 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 108.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.86 90.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.597 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 10.2 m-85 -135.31 149.07 68.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -73.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.46 1.769 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.634 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.63 84.82 6.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.613 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 22.3 m -96.31 139.32 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.581 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.4 p -153.16 172.06 6.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 40.48 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.446 1.761 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -178.86 -50.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.2 tt0 -65.6 -45.03 84.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -63.2 -35.51 80.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 108.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 9.3 t30 -88.96 -1.7 58.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.6 t30 -96.0 -37.94 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.06 -28.24 69.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.31 73.98 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 172.25 -159.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -120.57 151.67 39.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 108.289 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.7 t80 -115.98 172.81 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 33.4 t70 -179.53 141.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.59 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.3 p -134.87 17.14 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -41.9 96.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -149.59 132.91 8.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 -36.83 2.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.93 -27.69 1.06 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.474 1.108 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.417 ' CG2' ' CD1' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -104.58 170.65 5.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 0.737 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 89.82 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.59 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -32.27 -53.95 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 108.01 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.63 114.9 26.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.788 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.6 p90 -134.8 164.95 26.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.489 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.3 mtpt -64.79 162.87 32.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.489 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.05 125.68 9.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.441 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -37.29 137.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.63 44.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.09 38.85 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.549 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -93.84 151.57 39.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 -59.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 162.14 -23.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 3.47 55.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.549 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -120.63 11.27 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.741 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.8 mmt85 -77.23 119.62 21.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.4 t -85.83 -9.18 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER 59.74 116.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.47 -22.67 28.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 108.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.15 92.41 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.9 m-85 -139.71 149.06 58.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.479 0.752 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -76.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.817 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.637 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.79 83.85 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.572 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.8 m -94.7 136.66 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.577 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -151.51 171.48 6.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 39.8 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.789 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.88 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.583 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.7 tt0 -70.77 -41.12 72.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -69.77 -32.82 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.263 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.458 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -90.17 -2.03 58.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.8 t-20 -98.18 -41.44 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.366 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -29.53 64.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.93 75.08 0.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.48 -159.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -120.19 152.18 38.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.1 t80 -117.9 173.37 6.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.558 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 31.7 t70 -179.85 144.41 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.602 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.2 p -138.62 14.55 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.954 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -60.94 -35.05 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.431 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.36 132.56 6.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -35.95 2.88 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.537 1.809 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.37 -42.5 1.83 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.533 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -93.07 172.23 6.32 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 93.02 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.602 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.8 m0 -32.8 -54.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.013 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.71 114.34 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.741 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.7 p90 -134.52 163.51 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.1 mttt -61.78 162.08 18.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.03 120.66 6.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -37.12 139.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 39.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.72 41.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.514 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -92.69 153.15 42.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 -59.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 160.92 -23.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.98 1.1 57.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -117.73 11.33 13.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.736 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.4 mmt85 -77.21 117.31 18.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 t -83.62 -9.57 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 60.08 119.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.78 -26.28 27.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.98 88.79 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.2 m-85 -139.3 146.83 50.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -69.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.6 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -90.61 83.73 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.596 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.3 m -97.15 135.92 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.588 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -149.93 171.99 5.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 40.25 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.57 -49.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.557 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.8 tt0 -67.29 -43.08 82.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -64.75 -39.47 93.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -82.26 -7.36 59.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 44.8 t-20 -93.22 -38.35 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.599 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -60.59 -22.73 64.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.98 72.94 0.51 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.35 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.7 m -123.12 150.74 42.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.246 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.3 t80 -115.31 173.62 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 35.4 t70 178.43 141.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.581 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.2 p -135.55 17.95 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -37.77 83.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.482 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -155.89 135.63 8.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.0 -36.84 2.31 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.6 -34.03 0.66 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.534 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -101.23 170.48 6.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 91.83 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.581 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.1 m0 -32.77 -53.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.43 111.97 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 108.268 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.736 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -132.25 164.85 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -64.36 163.22 27.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 120.57 6.13 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.522 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.8 tt -34.37 123.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.689 ' NE2' ' H ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.252 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.479 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 6.6 tt0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.06 46.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.2 54.57 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.551 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.16 151.66 43.27 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.551 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 2.09 7.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.447 1.762 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 86.48 -26.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.47 6.69 36.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.497 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -130.45 20.3 5.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.9 OUTLIER -76.5 136.29 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' ASP . 77.9 t -96.3 -2.11 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.0 t0 48.63 99.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.77 -23.56 61.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.2 93.89 0.04 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.095 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.5 m-85 -139.55 148.69 57.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -75.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.643 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.66 84.61 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.619 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.5 m -95.42 134.93 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.574 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -150.6 171.41 6.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 38.65 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.9 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.586 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.6 tt0 -74.4 -37.88 63.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.262 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.02 -27.14 59.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.263 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.455 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.2 m120 -94.54 0.42 55.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.6 t30 -101.61 -42.27 6.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -29.67 62.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.91 76.19 0.34 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.48 -158.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -121.5 151.35 40.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 27' ' ' THR . 81.1 t80 -117.18 173.41 6.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 -179.89 145.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.587 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 78.2 p -134.67 14.11 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.965 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -53.21 60.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.482 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.69 135.81 15.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 -37.83 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.45 -42.5 1.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -91.31 171.24 8.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.97 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.43 -53.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -93.95 111.02 22.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 108.299 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -130.88 162.45 29.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.57 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.3 mtpt -65.41 166.57 13.41 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 122.28 7.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.514 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.59 128.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.504 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.491 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 6.2 pt20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.491 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -103.32 43.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 108.293 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.83 38.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -92.15 150.76 40.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.99 -55.99 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 157.97 -21.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 2.52 55.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.1 m-20 -120.07 11.7 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.71 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.2 mmt85 -76.35 117.49 18.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -81.78 -9.37 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.493 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 51.6 t0 58.46 115.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -84.89 -24.31 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 108.247 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.87 91.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.3 m-85 -137.37 148.62 62.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.612 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -90.8 85.44 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.57 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.599 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.7 m -96.63 138.71 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.576 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.4 p -152.74 170.38 8.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 40.07 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.29 -44.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.602 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.3 tt0 -72.47 -41.83 65.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.536 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -68.1 -37.08 80.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.298 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.442 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -83.53 -5.29 59.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 22.1 t-20 -98.02 -39.51 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.467 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -57.71 -25.85 60.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.12 72.91 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.19 -157.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -121.5 151.11 40.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 108.311 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.9 t80 -116.41 173.66 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.3 t70 178.58 142.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.584 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.8 p -135.14 15.81 3.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -60.18 -41.65 93.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.45 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.66 133.94 8.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -34.97 3.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.429 1.752 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.56 -33.61 1.0 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.51 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -101.22 171.05 5.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.372 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 90.39 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.584 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.0 m0 -31.43 -56.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -92.23 109.68 21.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.71 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.2 p90 -130.11 165.7 21.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.8 mtpt -66.48 163.72 38.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 126.19 9.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.458 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -36.23 132.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.406 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.478 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.1 tt0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 m -113.69 46.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 108.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.07 55.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.556 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.05 152.06 42.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.556 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 3.28 5.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.593 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 84.55 -26.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.2 4.52 45.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -128.36 20.9 6.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.804 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -76.3 138.44 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' A' ' 20' ' ' ASP . 55.1 t -98.15 -0.17 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 19' ' ' VAL . 5.6 t70 46.09 97.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -23.66 63.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.84 94.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.4 m-85 -140.3 148.56 54.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -77.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.602 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -87.7 85.74 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.526 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.3 m -96.87 136.0 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.577 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -150.55 171.64 6.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 39.33 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.58 -44.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.602 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -72.52 -39.1 67.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -72.53 -33.07 66.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 108.311 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -85.34 -6.41 59.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 16.2 t-20 -99.1 -40.26 8.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.54 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 3.4 tpt180 -55.1 -26.0 35.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 118.65 72.62 0.41 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.91 -158.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.9 m -120.2 151.43 39.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -116.03 173.32 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.2 t70 179.62 142.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.59 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.9 p -131.54 14.4 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -54.05 49.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.238 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.463 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -140.85 136.27 16.13 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.59 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.64 -40.57 2.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -92.86 171.2 7.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 93.2 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.59 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -34.27 -52.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 108.023 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.41 111.64 23.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.804 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -131.6 161.26 33.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.548 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.5 mtpt -64.64 165.88 13.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.93 121.59 6.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.4 tt -33.8 135.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.1 pt20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.9 43.88 1.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 108.27 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.01 39.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -92.04 153.59 43.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 -59.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 161.21 -24.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 0.59 57.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.538 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -118.25 12.82 13.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.746 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.8 mmt85 -76.2 112.22 12.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -73.43 -13.04 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER 60.05 118.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.01 -13.68 55.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.45 79.0 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.656 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -144.85 147.74 36.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.97 -87.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.426 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -58.04 84.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.65 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.561 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.3 m -113.46 119.55 61.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.549 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -137.83 171.9 7.65 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 37.87 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.8 tmtt? -174.74 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.93 -38.1 46.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -74.3 -26.89 60.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 108.325 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -96.43 2.54 52.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 6.7 t30 -100.23 -43.84 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.656 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.96 -34.06 65.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.46 71.64 0.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.76 -157.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.5 m -122.66 149.16 44.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.6 t80 -116.87 173.81 6.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.3 t70 179.89 143.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.595 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.2 p -136.28 14.43 3.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -58.88 -43.69 90.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.55 134.04 9.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 -33.15 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.49 -31.34 2.4 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.51 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -101.76 170.77 6.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 87.72 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.595 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -29.41 -56.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.038 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -92.46 114.39 26.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.281 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.746 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -135.5 164.35 28.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.3 mttt -63.97 161.96 34.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.5 Cg_endo -74.97 125.3 9.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.465 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -35.82 134.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.416 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.85 46.16 1.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.71 46.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.537 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -85.68 149.09 50.51 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.575 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.98 1.33 7.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.451 1.763 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.6 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.08 -24.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.97 13.63 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.537 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -136.73 16.25 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.683 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.1 mmt85 -76.02 118.31 18.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' ASP . 97.2 t -81.74 -9.09 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.438 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 59.01 116.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -19.8 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 108.338 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.51 92.45 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.4 m-85 -139.48 148.3 55.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 111.025 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -76.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.645 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.44 83.47 7.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.599 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.1 m -94.2 134.98 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.553 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -150.57 170.83 7.15 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.0 39.12 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 7.0 tmtm? -177.23 -41.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.508 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.7 tt0 -76.14 -39.04 55.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -73.22 -29.47 62.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 108.308 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -94.13 2.55 55.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.6 t30 -103.36 -40.59 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -31.21 67.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.79 75.16 0.21 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.87 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -120.16 152.84 37.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.5 t80 -119.2 173.5 6.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.077 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.5 t70 -179.03 144.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.6 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.8 p -134.63 13.84 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -49.64 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.63 136.94 13.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 -37.21 2.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.77 -44.26 1.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.584 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -91.18 169.47 11.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 90.85 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.6 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.2 -56.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.038 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 t -90.0 119.78 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.683 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -142.49 164.35 30.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.7 mttt -67.84 163.59 48.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 123.13 7.66 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.445 1.761 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 51' ' ' PRO . 2.3 tt -32.44 138.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.06 48.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.23 43.87 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.52 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -85.4 147.37 46.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.584 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.94 0.86 8.36 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.623 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 90.07 -20.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.18 11.36 28.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.52 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.94 16.67 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.666 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.2 mmt85 -75.78 115.41 15.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.8 t -80.76 -8.6 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.3 t70 58.9 117.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.86 -18.27 38.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.38 92.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 11.7 m-85 -140.9 146.4 43.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -75.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.641 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.52 84.34 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.651 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.1 m -96.21 134.88 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.569 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.8 p -150.38 171.67 6.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.537 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 39.43 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.44 1.758 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.29 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 7.4 tt0 -73.87 -37.54 64.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.548 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.2 -27.6 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.3 m120 -93.84 -0.92 55.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 7.5 t-20 -100.68 -43.29 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.55 -31.83 57.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.05 75.47 0.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.22 -159.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.92 153.07 36.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 108.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 27' ' ' THR . 80.4 t80 -118.06 173.35 6.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.6 t70 -179.11 142.18 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.423 1.077 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.597 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.3 p -133.23 15.66 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.054 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -58.26 -51.1 71.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.501 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.31 137.12 14.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.97 -36.72 2.41 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.806 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.54 -43.0 1.48 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.582 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -92.73 169.32 10.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 91.26 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.597 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.2 m0 -29.63 -56.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.025 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 t -90.41 117.58 29.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 108.331 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.666 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.9 p90 -139.35 165.23 27.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -66.93 163.65 42.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.0 121.83 6.83 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.512 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -32.44 138.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.06 45.51 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.67 49.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.517 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.9 148.9 40.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.56 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.95 1.95 7.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.592 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.12 -20.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.06 6.96 44.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.51 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -131.61 20.49 4.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.807 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.8 mmt180 -75.44 126.41 30.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' ASP . 91.5 t -89.33 -2.16 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.475 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.5 t0 39.34 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -14.85 62.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.368 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.55 102.74 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 19.1 m-85 -141.74 145.59 37.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.597 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -81.07 82.6 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -91.47 137.47 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.572 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.0 p -152.22 170.23 8.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 39.16 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.87 -41.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.7 tt0 -75.94 -38.91 57.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -73.14 -28.55 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.303 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.3 m120 -90.36 -4.58 56.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.1 t30 -99.9 -41.53 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.584 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.21 -24.16 25.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.04 73.09 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 173.29 -154.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.489 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.6 m -126.15 149.26 49.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.1 t80 -115.61 173.51 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.3 t70 -176.99 142.95 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.578 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.2 p -133.65 13.92 4.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.04 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -61.48 -48.32 81.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.465 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.05 132.58 12.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -36.93 2.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.34 -46.72 2.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -86.62 171.6 9.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.533 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 92.72 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.578 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.4 m0 -32.16 -52.4 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.454 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.3 t -92.8 126.64 37.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 108.267 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.807 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -149.43 165.26 32.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.7 mtpt -68.97 163.74 53.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -74.99 122.69 7.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.1 tt -34.32 140.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.39 46.74 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.3 54.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.516 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -96.94 148.25 34.12 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 1.57 7.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.582 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.53 -20.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.39 6.78 44.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -131.2 20.43 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.815 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -76.12 126.54 31.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.3 t -90.06 -7.85 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.445 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.6 t70 55.81 109.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -19.78 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 108.26 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.66 91.38 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.586 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.3 m-85 -140.02 148.34 54.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -71.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.611 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -91.91 86.89 6.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.591 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.57 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.2 m -98.41 133.25 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -147.49 172.13 5.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 39.44 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.779 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -177.79 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.601 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.2 tt0 -71.3 -39.68 71.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.42 -38.04 74.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 108.271 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -83.9 -1.95 55.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.8 t30 -101.5 -37.83 8.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.586 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -59.22 -29.3 67.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.11 72.61 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.98 -158.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -119.63 152.06 37.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 108.31 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.5 t80 -115.88 173.27 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.1 t70 -179.03 142.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.59 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.0 p -133.75 16.34 3.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -49.12 78.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.48 136.8 13.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.64 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.547 1.814 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.44 -43.55 1.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -91.6 169.32 11.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.554 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 92.21 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.59 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -30.83 -54.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 107.979 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -93.49 112.81 24.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.815 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.6 p90 -133.13 167.44 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.478 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -68.76 163.91 50.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 121.61 6.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.1 tt -33.18 136.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.54 44.68 1.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.54 52.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.531 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.86 150.87 41.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.568 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 1.07 8.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.437 1.756 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.576 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.36 -27.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.3 7.99 29.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -131.71 20.22 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.829 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.5 mmt180 -76.01 136.6 39.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 20' ' ' ASP . 38.7 t -96.46 -4.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.445 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.4 t0 51.12 102.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -26.57 64.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 108.345 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.46 89.07 0.11 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 6.8 m-85 -138.31 148.49 59.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -72.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.629 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -90.74 84.06 5.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.6 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -95.48 118.75 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 7.8 p -129.16 169.31 13.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 38.72 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.59 -38.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.517 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.9 tt0 -77.72 -41.99 35.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -65.72 -36.62 84.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.317 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -84.33 -4.81 59.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.3 t30 -99.49 -38.97 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.589 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -58.3 -26.61 63.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.69 72.49 0.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.95 -158.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.1 m -121.85 150.61 41.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.7 t80 -114.16 173.28 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 23.2 t70 -179.86 141.1 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.578 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.1 p -130.83 16.26 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -51.28 70.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.506 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.71 136.74 14.62 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.5 Cg_endo -75.05 -38.09 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.62 -45.23 1.94 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -89.35 170.76 10.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.514 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.07 93.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.578 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -33.5 -51.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.9 t -95.35 111.8 23.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 108.268 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.829 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -132.07 165.07 24.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -68.83 163.49 55.27 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.01 118.54 5.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.53 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.3 tt -32.8 130.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.92 43.75 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.77 50.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -89.74 149.3 41.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.547 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.81 . . . . 0.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.615 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 87.02 -14.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.92 2.87 52.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 4.6 t0 -130.15 22.77 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.807 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.7 mmt180 -74.49 138.21 43.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.0 t -97.18 -6.9 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.1 t0 51.8 101.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -22.93 61.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.98 91.71 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.1 m-85 -139.49 147.98 54.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -70.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -92.08 85.49 5.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.5 m -97.97 132.15 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.553 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -146.95 171.14 6.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.592 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 38.62 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' N ' HD21 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.16 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.607 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.2 tt0 -77.42 -35.65 53.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.99 -29.38 58.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.279 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.484 HD21 ' N ' ' A' ' 29' ' ' LYS . 2.3 m-80 -89.97 -3.6 57.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 3.3 t30 -100.21 -41.01 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.593 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.42 -27.56 48.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.07 73.95 0.39 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 170.19 -158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -120.5 151.63 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.304 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.4 t80 -116.61 173.26 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 23.1 t70 -179.48 143.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.574 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.7 p -134.93 16.92 3.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -47.5 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.448 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -144.15 132.17 10.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -36.06 2.74 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.71 -36.56 1.1 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.428 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -97.76 171.64 5.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.539 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 91.25 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.574 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -31.8 -53.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 108.037 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 t -92.78 112.1 23.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.332 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.807 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.9 p90 -133.4 162.74 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -66.78 163.51 42.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.99 119.64 5.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.51 ' C ' ' O ' ' A' ' 51' ' ' PRO . 3.0 tt -31.63 141.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -113.5 46.15 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 108.268 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.2 53.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.503 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.13 149.65 36.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 1.53 7.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.6 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.29 -20.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.9 4.51 52.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -129.27 21.14 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.833 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.2 mmt180 -75.06 137.61 41.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.343 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.9 t -98.5 -1.46 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.465 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.7 t70 47.6 98.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -25.2 62.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 108.305 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.85 93.48 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.5 m-85 -138.11 148.27 59.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.799 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.655 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -88.26 84.02 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.1 m -93.89 138.57 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.592 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 2.7 p -150.9 172.38 5.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.87 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -177.53 -54.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.549 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -60.23 -45.65 92.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -64.24 -35.92 82.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -89.71 3.12 53.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LYS . 15.8 t30 -104.28 -36.29 7.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -26.97 68.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.93 73.1 0.22 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.39 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.5 m -123.4 151.71 42.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.2 t80 -116.39 173.73 6.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.555 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.3 t70 -179.64 144.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.586 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.0 p -134.66 14.26 3.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -58.67 -48.9 79.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.57 134.88 12.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.96 -37.76 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.96 -43.74 1.82 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -90.55 170.89 9.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 93.73 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.586 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -33.47 -53.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 107.997 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.84 110.04 21.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.833 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -129.96 163.48 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -66.41 164.12 34.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.96 116.77 4.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.796 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 51' ' ' PRO . 2.6 tt -34.27 131.95 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.315 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.3 45.91 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.9 43.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.508 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -84.68 147.82 50.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.526 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 4.04 5.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.664 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 85.18 -15.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.71 7.03 47.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.86 16.96 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.1 mmt85 -75.0 112.43 11.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 60.5 t -78.54 -7.88 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 58.06 114.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -81.49 -20.75 39.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.261 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.08 91.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 16.3 m-85 -138.21 146.6 52.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -78.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.423 1.749 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.652 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -86.04 83.62 7.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.589 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.0 m -93.83 138.68 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.7 p -152.78 170.65 7.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.98 40.99 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' A' ' 27' ' ' THR . 5.5 tmtt? -178.71 -47.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.595 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -70.74 -42.89 69.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.2 -30.93 71.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.285 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -92.73 2.87 56.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 34.7 t-20 -103.53 -39.29 6.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -59.34 -31.1 68.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.57 73.51 0.18 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.89 -160.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.51 154.13 34.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.7 t80 -118.17 173.29 6.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.56 ' O ' ' CG ' ' A' ' 47' ' ' TRP . 11.1 t70 179.77 145.75 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.612 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.6 p -139.63 16.03 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -61.76 -34.91 76.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.508 HD11 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.24 132.43 6.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -75.02 -38.03 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.15 -34.42 0.33 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.555 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -100.39 169.19 8.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 89.49 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.612 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 9.5 m0 -28.92 -57.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 t -89.97 117.36 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 108.326 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.7 p90 -139.3 165.66 26.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -68.66 164.41 45.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 124.61 8.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.496 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -34.31 137.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.39 46.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.29 55.2 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.56 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.29 152.29 42.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.56 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 2.56 6.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.602 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 85.42 -26.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.12 4.28 46.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -127.91 20.54 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.794 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.39 135.69 39.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' ' O ' ' A' ' 20' ' ' ASP . 53.6 t -94.81 -0.35 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.7 t70 46.47 97.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -25.17 64.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 108.277 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.98 92.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.2 m-85 -137.98 149.84 65.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 0.8 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -77.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.625 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.02 84.69 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.588 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.6 m -95.05 134.42 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.571 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -148.59 171.52 6.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 40.44 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.55 -47.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.608 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.3 tt0 -69.66 -42.05 74.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -67.9 -33.0 73.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 108.326 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -90.06 -1.8 58.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.6 t-20 -98.08 -40.1 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -30.5 68.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.47 75.37 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.32 -159.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.0 m -121.61 150.53 41.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.6 t80 -115.28 173.07 6.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.3 t70 179.51 144.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.594 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.4 p -133.4 15.43 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -51.75 67.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.422 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -143.32 134.86 12.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.96 -38.06 1.78 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.513 1.797 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.94 -28.49 0.47 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -104.6 171.01 5.39 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 91.16 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.423 1.749 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.594 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -33.76 -53.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.064 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.6 t -93.91 110.34 22.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.285 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.794 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -130.42 161.03 32.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.4 mtpt -63.91 164.87 14.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.03 120.57 6.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.543 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -34.89 126.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.8 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 48.64 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.266 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.68 47.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.503 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.21 147.79 45.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 1.92 7.21 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.666 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.76 -17.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.2 10.16 37.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.487 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -134.19 17.07 3.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.666 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 10.8 mmt85 -74.8 122.05 22.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 52.7 t -86.85 -8.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.6 t0 55.4 108.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.58 -19.8 60.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.36 89.2 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.597 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.6 m-85 -138.29 147.52 55.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -72.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 111.058 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.611 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -90.67 85.62 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -97.54 132.77 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.1 p -147.31 171.27 6.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.02 38.76 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.58 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.9 tt0 -74.98 -39.02 61.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -71.18 -36.4 71.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 108.323 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -84.72 -3.51 58.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 15.5 t30 -99.77 -39.8 8.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.597 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.97 -29.22 63.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.75 72.76 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.61 -159.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -118.43 153.17 34.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.6 t80 -118.1 172.83 7.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.548 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 8.0 t70 -177.97 144.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.608 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.3 p -134.97 14.6 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -57.79 -49.8 75.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.484 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.29 135.52 12.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 -36.87 2.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.36 -41.54 1.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.595 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -94.4 170.55 8.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.554 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.98 91.71 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.608 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.8 m0 -30.7 -56.81 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 107.97 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -89.52 118.68 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 108.327 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.665 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -140.89 166.09 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.5 mtpt -67.02 164.3 36.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.95 123.46 7.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -34.9 134.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.17 40.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.72 36.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.546 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -89.31 152.77 48.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.561 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 -56.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 158.77 -23.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 2.53 56.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.546 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -120.69 13.1 11.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 14.2 mmt85 -75.65 112.88 12.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 20' ' ' ASP . 36.0 t -72.64 -13.56 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER 59.44 114.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -8.19 59.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 108.296 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.38 83.44 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.1 t80 -149.28 145.72 19.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -79.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.692 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -65.95 96.51 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.632 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 19.1 m -126.41 124.59 65.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.582 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.35 173.25 5.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 39.73 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.768 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.69 -47.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.53 -39.52 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.8 OUTLIER -71.68 -27.43 63.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -95.7 3.73 53.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.7 t-20 -101.31 -40.36 7.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.601 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -59.4 -28.06 66.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.1 71.92 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.88 -154.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.0 m -125.37 150.47 47.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 108.312 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.6 t80 -117.91 173.63 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.3 t70 -179.13 147.17 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.598 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.8 p -139.82 14.25 2.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -40.57 89.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.474 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -152.2 134.26 8.54 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -33.77 4.32 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.22 -35.56 2.59 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.502 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -97.57 170.44 7.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.564 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 88.82 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.598 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -30.12 -57.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.467 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.3 t -91.26 114.0 26.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -135.57 165.65 25.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.3 mtpt -67.96 162.17 61.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 125.75 9.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.507 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -34.89 138.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.4 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -107.78 45.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 108.283 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.47 52.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.539 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.89 150.25 41.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.539 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 3.66 5.44 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.582 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 85.07 -23.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.449 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -89.85 8.64 31.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.946 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -132.64 19.96 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.809 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -75.89 125.97 30.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' ASP . 79.9 t -87.47 -1.85 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.3 t0 39.57 89.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -15.55 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.94 102.24 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 18.9 m-85 -140.67 145.93 42.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -84.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.46 1.768 . . . . 0.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.631 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -81.25 82.03 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.555 -179.953 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.9 m -90.62 136.86 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.575 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.7 p -150.48 171.34 6.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.594 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 40.04 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -179.55 -46.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.589 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -68.78 -44.13 74.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.516 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.92 -32.04 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 108.256 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 9.9 t30 -91.58 -1.65 57.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 2.5 t30 -95.89 -38.79 10.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -63.69 -23.0 67.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.8 75.14 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.5 -156.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.2 m -126.44 147.75 49.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 108.347 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.594 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.4 t80 -113.64 173.46 6.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.548 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.8 t70 -178.65 142.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.572 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.6 p -132.34 14.73 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -60.35 -49.63 76.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.433 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -141.28 133.65 14.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.39 -44.15 2.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.15 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -88.28 170.8 10.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 91.62 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.572 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.43 -52.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.475 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 5.5 t -93.03 127.06 38.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.809 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -148.88 163.88 36.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.508 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.8 mtpt -66.78 165.0 28.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 123.03 7.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.52 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.85 129.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -115.04 45.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.296 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.87 56.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.544 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -94.36 151.4 39.38 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.544 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.91 3.24 5.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.605 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 84.98 -27.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 6.62 33.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -130.38 20.27 5.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.793 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.93 133.27 39.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 20' ' ' ASP . 21.6 t -92.54 -3.48 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 19' ' ' VAL . 8.3 t0 50.53 101.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -24.68 61.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.95 93.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.4 m-85 -139.28 148.0 55.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -72.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.618 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -91.57 86.69 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.571 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.2 m -97.96 137.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.567 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.4 p -151.75 171.06 6.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.598 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 39.59 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.96 -45.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.6 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -70.58 -42.69 70.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.533 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -66.88 -37.13 83.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.276 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -84.12 -4.33 58.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 25.5 t30 -98.5 -38.95 8.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -58.84 -27.61 65.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.22 72.84 0.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.4 -158.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.9 150.62 40.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.5 t80 -114.83 173.03 6.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 19.3 t70 179.5 141.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.58 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.9 p -131.35 17.09 4.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.949 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HB3' HG13 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -58.83 -52.15 66.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.431 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -142.83 135.07 13.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.7 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.93 -30.28 0.66 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.419 HG23 ' CD1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -102.92 170.98 5.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 91.55 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.781 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.58 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -34.03 -53.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -94.3 109.18 21.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.793 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -129.03 162.86 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.2 mttt -64.41 163.53 25.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 118.92 5.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.518 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.6 tt -35.08 130.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.407 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 47.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.336 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.29 41.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.543 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -93.07 152.36 41.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.534 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.98 -58.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 160.25 -23.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.03 1.12 57.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.543 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -117.02 9.94 13.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.0 mmt85 -76.77 108.64 9.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' ASP . 70.4 t -75.45 -9.22 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 59.48 116.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -86.09 -21.35 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.56 92.21 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.579 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 13.7 m-85 -137.43 147.44 57.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -76.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.642 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -87.98 84.84 6.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.626 180.0 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.4 m -94.81 140.23 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.609 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.3 p -152.21 172.69 5.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.593 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 38.57 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.55 -55.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.3 tt0 -59.35 -45.04 92.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -63.66 -41.1 98.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -82.07 -2.29 51.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' LYS . 22.7 t-20 -100.97 -35.27 9.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.454 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -62.09 -25.17 67.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.964 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.73 71.02 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 170.35 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -122.75 152.76 40.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 27' ' ' THR . 70.7 t80 -116.04 173.73 6.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.6 t70 179.19 140.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.594 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.4 p -133.94 16.64 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -41.97 92.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.437 HD12 ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -151.5 133.79 8.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.09 -33.83 4.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.23 -28.64 1.43 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.556 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -105.47 170.64 5.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 88.72 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.594 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.33 -56.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 107.995 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 t -92.08 111.94 23.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 108.26 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.9 p90 -132.46 165.18 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.1 mtpt -62.81 162.45 21.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.01 126.1 9.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -38.42 140.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.3 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.44 42.64 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 108.298 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.03 46.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -86.1 148.35 47.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.579 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 0.84 8.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.571 1.827 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.656 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.92 -18.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.514 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.26 10.13 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.504 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -134.02 16.91 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.5 mmt85 -75.59 118.12 18.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.4 t -82.79 -8.33 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 56.77 109.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -19.32 56.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.93 92.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.9 m-85 -140.37 147.44 49.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -75.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.462 1.769 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.635 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.14 83.86 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.641 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.584 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.5 m -95.26 135.29 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.572 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -149.83 171.47 6.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.91 39.28 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.28 -45.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.592 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.7 tt0 -71.8 -40.59 69.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.58 -32.47 69.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.247 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.448 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -90.41 -1.75 57.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 1.8 t30 -98.8 -41.33 7.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -29.06 64.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.92 74.85 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.17 -159.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.5 m -119.9 152.28 37.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 108.317 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.8 t80 -118.35 173.45 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.0 t70 -178.5 145.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.606 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.1 p -135.66 13.43 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -51.34 69.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.487 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.32 135.45 14.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -36.2 2.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.12 -42.44 1.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.589 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -92.89 170.49 8.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 109.339 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.559 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 91.46 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.797 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.606 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.42 -56.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 107.955 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -89.6 119.35 29.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.7 p90 -142.27 163.75 32.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.4 mtpt -67.22 164.23 38.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.02 124.26 8.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.533 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.2 tt -35.25 132.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 51' ' ' PRO . 1.7 pt20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.17 42.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 108.251 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.01 50.98 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.76 150.06 43.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 1.27 7.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.587 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.83 -27.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.07 10.18 20.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.53 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -133.57 19.02 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.818 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -75.66 140.43 42.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.47 ' O ' ' O ' ' A' ' 20' ' ' ASP . 88.4 t -99.76 4.2 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.0 t70 43.52 96.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -69.58 -24.58 63.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.28 -179.956 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.72 96.02 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 16.2 m-85 -139.7 146.87 49.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -79.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.621 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -86.52 84.81 7.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.643 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.578 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.8 m -94.03 141.24 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.6 p -152.7 172.86 5.08 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.383 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.582 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 37.77 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.46 -55.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.611 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tp10 -59.01 -45.44 90.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.534 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -63.15 -42.18 99.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 108.296 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.1 -3.76 50.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' LYS . 21.4 t-20 -100.1 -35.07 9.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 3.1 tpt85 -61.36 -25.43 67.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.3 69.63 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 170.73 -155.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -123.64 152.75 41.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 27' ' ' THR . 72.6 t80 -115.33 174.47 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 24.7 t70 178.15 140.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.585 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -130.44 15.2 5.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -49.33 77.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.496 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.32 135.52 11.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.03 -36.49 2.5 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.55 -41.66 1.74 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.496 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -93.64 171.67 6.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.585 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -33.71 -51.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.419 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.9 t -95.39 110.1 22.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.818 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.0 p90 -130.6 165.06 23.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.7 mtpt -71.33 165.11 51.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -74.98 119.31 5.6 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.525 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.5 tt -34.18 134.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 46.37 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.345 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.75 46.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.523 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -87.93 147.83 41.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.98 1.37 7.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.636 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.17 -19.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.47 10.65 31.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.03 16.28 3.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.67 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.2 mmt85 -76.64 112.25 13.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' ASP . 91.6 t -77.9 -4.89 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.5 t70 58.35 115.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.69 -24.07 27.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.329 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.09 99.57 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 17.9 m-85 -145.9 147.19 31.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -77.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.632 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -85.46 83.01 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.587 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 28.6 m -94.37 138.06 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.48 ' CG2' ' C ' ' A' ' 26' ' ' VAL . 4.3 p -152.36 169.36 9.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.73 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 7.8 tmtt? -178.04 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.441 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 1.2 tt0 -78.28 -40.03 38.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -72.77 -27.29 61.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 108.333 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.76 4.01 52.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 7.4 t30 -104.04 -41.89 5.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.83 -35.7 69.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.75 74.74 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.65 -160.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.5 m -119.42 154.07 34.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 108.308 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.7 t80 -120.41 174.52 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 12.4 t70 -177.29 145.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.585 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.3 p -135.26 13.37 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.75 -51.55 69.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.496 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 136.4 14.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -75.0 -36.52 2.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.51 -45.69 1.95 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.586 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -88.47 169.89 12.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 90.36 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.585 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -29.44 -57.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 107.998 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.94 116.67 28.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.67 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -138.58 164.82 28.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.3 mttt -66.26 163.41 39.37 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.01 120.65 6.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.534 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.2 tt -33.3 131.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.409 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.8 47.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.28 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.32 49.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.526 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.06 149.23 47.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 1.53 7.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.799 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.53 -21.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.498 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.62 10.8 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.522 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.68 16.98 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.676 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.2 mmt85 -75.88 116.63 16.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 87.7 t -81.58 -9.58 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.5 t70 58.21 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.77 -18.18 51.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.315 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.07 89.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.3 m-85 -139.24 147.5 53.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -70.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.499 1.789 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.617 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -91.76 86.32 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.944 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.2 m -98.52 131.12 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.581 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.6 p -144.62 172.68 5.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 39.72 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.25 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.6 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.6 tt0 -68.04 -40.9 82.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.581 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -67.46 -40.1 85.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 108.303 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 4.5 t30 -81.76 -6.77 59.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 29.0 t30 -94.7 -38.24 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.607 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.71 -26.46 65.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.01 72.24 0.31 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.04 -157.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.512 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -120.76 152.81 37.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.7 t80 -117.19 173.21 6.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.2 t70 -178.82 141.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.595 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.0 p -131.67 16.03 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.59 -51.43 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.502 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.25 136.38 13.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 -37.0 2.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.32 -41.49 1.09 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.594 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -94.46 170.18 8.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.555 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 91.78 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.595 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.8 m0 -30.65 -56.17 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 t -90.78 116.93 29.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.237 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.676 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -138.74 167.22 22.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -67.52 163.14 50.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.0 121.83 6.82 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.523 1.801 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.528 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.46 136.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.6 48.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 108.285 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.85 50.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.532 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.01 149.62 39.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.564 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.487 1.782 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.58 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 88.14 -25.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -89.31 8.49 30.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.518 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.83 21.49 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.813 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.9 mmt180 -75.78 132.91 40.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 1.9 t -90.48 -8.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.482 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.8 t0 53.96 104.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -10.31 59.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 108.273 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.53 79.04 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.621 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -145.81 146.16 27.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -77.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.694 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -67.97 97.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.575 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.525 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.7 m -126.23 124.6 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.592 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -139.54 174.34 4.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.07 38.97 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -176.97 -46.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.2 OUTLIER -69.75 -38.89 76.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -73.14 -26.64 61.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -97.11 5.01 51.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 40.4 t-20 -101.82 -40.59 6.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.621 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -60.45 -26.84 67.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 179.952 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.47 72.67 0.42 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.92 -155.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.475 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -125.81 149.36 48.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 108.298 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 76.9 t80 -117.27 174.09 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 18.0 t70 -178.64 146.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.581 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.9 p -137.08 13.71 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -48.66 80.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.92 134.73 13.06 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -36.7 2.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.74 -47.93 2.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -85.78 171.09 11.22 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 93.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.581 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.1 m0 -32.79 -54.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.8 t -93.61 112.23 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.316 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.813 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -132.54 165.22 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -68.02 163.89 46.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.02 122.88 7.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.049 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.518 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.8 tt -34.91 136.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 1.8 tt0 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 49.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.336 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.34 57.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.514 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -97.86 149.56 35.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.563 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 -0.0 9.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.598 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 88.13 -25.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.88 6.2 40.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.501 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 7.0 t0 -131.3 21.83 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.43 132.51 39.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -92.83 -9.07 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.9 t0 55.39 107.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.19 -21.23 58.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 108.278 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.52 90.64 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 6.6 m-85 -139.53 147.71 53.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -70.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.62 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -91.5 85.21 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.619 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.8 m -97.67 132.03 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.552 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.2 p -146.73 171.43 6.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.77 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.0 tmtt? -176.96 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.605 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.5 tt0 -75.55 -37.13 60.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -74.58 -30.13 61.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.271 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.422 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -89.26 -3.83 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 29.6 t30 -100.56 -40.97 7.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.608 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.27 -29.18 57.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.96 73.73 0.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.86 -159.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.472 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -119.01 152.14 36.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.312 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.2 t80 -116.33 173.06 6.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.7 t70 -179.47 142.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.598 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.9 p -132.17 14.94 4.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -51.29 70.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.503 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 137.1 14.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -75.05 -38.19 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.16 -43.27 1.37 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.503 HG12 ' CD1' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -91.52 169.43 11.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.552 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 91.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.769 . . . . 0.0 111.002 -179.935 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.598 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.87 -53.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -93.78 112.8 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.7 p90 -132.88 165.25 25.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.3 mttt -66.38 164.82 27.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.98 122.05 6.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.522 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -31.23 139.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.49 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.4 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -114.29 47.63 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 108.345 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.51 42.57 1.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.55 HG22 ' CE1' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -92.68 152.1 41.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.05 -60.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 162.93 -22.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.226 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.26 0.78 57.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.546 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -117.03 10.09 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.736 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.3 mmt85 -77.36 116.66 18.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' ASP . 17.7 t -83.3 -5.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.3 t0 57.14 114.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -22.25 26.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.66 95.73 0.05 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 14.7 m-85 -143.59 143.8 25.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.788 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -71.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.43 1.753 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -88.87 83.66 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 109.581 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.58 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.2 m -97.07 139.25 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.652 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 11.0 p -149.48 169.28 9.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 35.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -174.97 -47.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.485 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.4 OUTLIER -69.42 -31.86 70.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.652 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -79.45 -29.16 41.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.973 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.469 HD21 ' N ' ' A' ' 29' ' ' LYS . 1.1 m-80 -94.42 0.64 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 39.5 t30 -103.43 -40.51 6.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -28.34 63.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 124.15 74.68 0.26 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 168.94 -158.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -122.75 154.09 38.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.326 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.9 t80 -119.55 175.63 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.1 t70 177.43 142.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.633 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.6 p -139.53 18.37 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -32.56 71.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.478 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -152.85 125.68 4.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.443 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -34.17 4.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.771 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.51 -30.03 1.31 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.548 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -104.47 173.37 3.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.506 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.2 Cg_endo -75.0 92.48 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.633 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -34.48 -56.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.016 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.41 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.3 t -91.85 109.6 20.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.736 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.1 p90 -130.35 164.14 25.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -60.78 162.38 12.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.49 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.96 122.44 7.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -35.63 132.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.418 ' HG2' ' N ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -117.18 42.78 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.76 38.36 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.542 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -91.58 152.01 43.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.543 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.554 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 159.88 -22.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 4.16 54.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.542 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -121.31 10.32 10.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.74 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.1 mmt85 -76.17 122.86 24.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.1 t -88.52 -8.74 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.7 t0 58.55 115.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.42 -25.63 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.93 90.17 0.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.4 m-85 -137.67 148.55 61.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -75.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.62 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -89.14 84.91 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 31.5 m -95.65 139.39 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.635 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.6 p -151.57 173.52 4.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 37.44 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.61 -54.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.96 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.566 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.1 tt0 -61.83 -33.73 74.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.635 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.33 -37.11 53.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.312 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.463 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -83.58 -5.36 59.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' LYS . 54.9 t-20 -100.59 -37.42 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.538 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 5.0 tpt85 -57.74 -26.1 61.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.35 71.77 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 168.17 -157.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.88 154.29 36.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 108.308 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 27' ' ' THR . 75.6 t80 -118.27 174.97 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.2 t70 178.32 140.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.598 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.4 p -136.04 18.29 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.049 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -34.82 79.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.485 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -154.66 131.11 5.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 -33.94 4.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.17 -38.18 2.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.542 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -97.05 172.09 5.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -75.01 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.598 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -33.44 -54.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.018 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 t -94.16 112.65 24.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.74 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.5 p90 -133.14 165.09 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -63.63 162.79 24.69 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.03 120.45 6.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.788 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -37.44 138.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.942 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.5 47.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.81 51.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.538 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.24 150.31 42.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.561 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.91 1.43 7.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.57 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 87.87 -27.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 -179.918 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.38 8.23 28.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.51 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.04 20.53 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.8 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -76.05 127.52 33.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.9 t -88.3 -3.43 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 39.78 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -15.86 63.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.99 100.9 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 17.5 m-85 -139.19 146.36 48.78 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.75 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -84.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.608 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -81.21 82.66 7.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.3 m -91.28 136.37 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.3 p -150.55 169.44 9.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.58 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' N ' HD21 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.55 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.608 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tt0 -79.53 -37.05 37.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.41 -28.04 60.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 108.277 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.475 HD21 ' N ' ' A' ' 29' ' ' LYS . 1.9 m-80 -91.36 -3.29 56.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.9 t-20 -100.68 -42.73 6.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.592 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.46 -24.61 20.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.69 73.82 0.51 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 172.56 -155.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.975 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.7 m -124.91 149.61 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -115.88 173.69 6.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 18.6 t70 -178.01 143.56 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.587 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.8 p -134.85 13.73 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -47.06 87.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.48 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.65 133.91 12.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 -37.02 2.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.54 -47.07 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.48 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -86.26 170.81 11.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 92.69 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -31.84 -52.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.979 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.425 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.0 t -93.66 127.07 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 108.303 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.8 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -149.25 164.11 35.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -65.47 163.5 32.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.497 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.02 122.16 7.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.546 1.814 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.515 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.59 133.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.41 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.16 44.18 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 108.27 179.999 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.79 40.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.524 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -90.71 152.51 44.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.05 -57.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 158.7 -21.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -1.5 54.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.524 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -115.13 11.14 16.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.723 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -76.31 115.49 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' ASP . 10.2 t -81.54 -10.56 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.9 t0 59.51 116.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.35 -27.18 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.252 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.88 90.27 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.937 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.2 m-85 -137.51 148.01 59.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.44 0.729 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -76.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.619 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -85.99 82.2 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.648 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.584 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.8 m -93.27 137.45 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.1 p -151.22 168.9 10.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.0 Cg_endo -75.09 39.91 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -178.34 -39.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.598 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tp10 -78.63 -39.89 35.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.71 -33.71 71.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 -179.998 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -87.36 -3.1 59.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.1 t30 -100.19 -41.49 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.467 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.6 -25.58 39.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.34 73.59 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.68 -157.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.971 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -121.41 151.69 39.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 76.0 t80 -117.12 173.28 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.4 t70 -179.97 144.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.595 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.5 p -137.26 14.48 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.9 -39.05 80.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -154.04 134.61 8.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -36.7 2.41 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.21 -36.47 0.91 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.543 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -97.95 170.79 6.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 90.84 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.595 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -31.75 -55.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.61 111.33 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.32 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.723 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -131.92 164.8 25.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.492 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.9 mtpt -62.53 162.86 17.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.96 124.88 8.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.056 179.949 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.513 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -37.53 128.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.503 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 52' ' ' LEU . 5.0 pt20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.434 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -107.86 40.6 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.307 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.13 55.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.521 HG13 ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -93.91 150.63 38.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.575 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 -0.91 10.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.28 -25.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -89.0 8.08 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.521 ' HB3' HG13 ' A' ' 13' ' ' VAL . 9.3 t0 -134.14 22.39 3.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.818 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -75.73 140.72 42.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.7 t -97.48 -2.4 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 46.9 97.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -22.23 64.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.91 93.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.9 m-85 -139.59 148.99 58.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -74.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.811 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.626 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.59 86.12 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.0 m -97.3 132.96 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -146.41 171.64 6.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.593 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 40.12 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.92 -48.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.608 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -68.62 -42.73 77.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -66.53 -35.14 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 108.278 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.448 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -87.85 -1.8 58.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.9 t-20 -98.94 -38.95 8.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -60.45 -28.83 68.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.98 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.96 74.69 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.81 -159.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -121.22 151.13 40.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 108.304 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.0 t80 -115.52 173.86 6.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.558 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.5 t70 179.33 143.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.593 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.5 p -134.0 14.83 3.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -47.39 85.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.319 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.22 133.48 10.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -37.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.64 -39.6 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -95.09 171.83 6.12 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.95 92.93 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.453 1.765 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.593 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -33.46 -51.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.997 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.96 110.76 22.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 108.3 -179.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.818 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.0 p90 -131.27 163.11 28.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -68.24 164.24 44.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.939 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.93 118.18 5.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.821 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.527 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.6 tt -32.11 125.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.493 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.401 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.63 45.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.245 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.18 48.22 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.546 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.47 149.96 45.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.546 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 2.96 6.03 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.6 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 86.41 -27.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.85 9.83 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.17 20.05 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.814 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.1 mmt180 -76.63 131.75 39.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ASP . 46.9 t -88.58 -5.34 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t0 52.38 102.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -9.04 56.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 108.321 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.83 80.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.604 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -147.83 143.76 18.21 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.545 0.791 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -80.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -62.41 94.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.968 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 26.7 m -127.0 124.99 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.583 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -139.32 174.58 3.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.984 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.599 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.92 37.16 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.51 ' N ' HD21 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.4 -44.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.441 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -72.24 -32.64 66.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -80.57 -27.08 37.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 179.999 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.51 HD21 ' N ' ' A' ' 29' ' ' LYS . 1.6 m-80 -94.9 1.67 55.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 2.4 t30 -101.9 -40.92 6.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.604 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.07 -23.94 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 179.996 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.96 75.74 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.08 -154.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 12.0 m -127.21 149.16 50.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 -179.992 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.599 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.6 t80 -116.67 174.47 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.3 t70 179.12 144.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.592 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -135.67 15.83 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.33 -47.92 80.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -141.49 132.83 13.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.952 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 -37.87 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.37 -42.66 2.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -89.1 171.04 9.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.495 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.99 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.592 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.0 m0 -34.44 -53.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.03 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.9 t -94.82 112.13 23.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.322 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.814 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.7 p90 -131.65 168.88 16.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.514 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.3 mtpt -73.31 164.76 58.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.93 123.82 8.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.456 1.766 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.532 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -34.34 134.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.431 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.83 46.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.7 52.81 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.554 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.02 151.46 45.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.05 1.37 7.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.58 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 87.87 -27.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 8.57 25.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.511 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -132.15 19.72 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.817 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.0 139.99 41.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 20' ' ' ASP . 59.0 t -99.9 -1.72 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.3 t0 47.68 98.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -24.94 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.53 92.98 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.115 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.0 m-85 -138.75 149.67 62.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -76.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.617 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -88.81 84.75 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.618 179.995 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.9 m -94.64 128.96 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.52 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 7.3 p -142.0 169.26 11.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.96 38.97 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -176.57 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.566 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tp10 -78.75 -38.8 37.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -71.49 -31.52 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.449 HD21 ' N ' ' A' ' 29' ' ' LYS . 2.3 m-80 -87.3 -6.61 58.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.7 t-20 -99.7 -40.81 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.554 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 5.2 tpt180 -54.79 -27.08 38.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.82 73.23 0.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 168.38 -159.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.996 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.4 m -119.54 151.36 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.4 t80 -115.8 173.57 6.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.8 t70 179.91 143.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.582 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.6 p -133.68 15.22 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -58.83 -48.6 80.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.496 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.82 134.87 11.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 -37.46 2.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.23 -41.84 1.57 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.496 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -92.72 171.59 7.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.02 93.24 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.449 1.762 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.582 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -33.68 -52.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.013 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -95.09 110.59 22.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.288 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.817 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -130.79 163.28 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.9 mtpt -66.37 164.4 31.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 117.07 4.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.436 1.756 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.546 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -32.22 129.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -111.18 44.56 1.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.92 56.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.525 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -97.12 151.13 37.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 2.96 6.05 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 86.09 -26.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.92 7.69 29.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.483 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -132.36 21.23 4.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.787 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -76.55 135.62 39.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.957 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.8 t -93.54 -3.73 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.3 t70 49.2 98.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.6 -28.72 66.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 179.96 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.55 91.4 0.11 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.575 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.0 m-85 -137.09 148.14 61.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -75.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.645 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -89.08 84.79 6.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.986 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.575 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.8 m -94.98 139.24 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.632 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.7 p -152.5 173.17 4.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 37.72 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.521 ' N ' HD21 ' A' ' 32' ' ' ASN . 1.7 tmmm? -177.13 -53.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.469 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.4 tt0 -62.84 -34.86 78.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.632 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -76.74 -36.1 57.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.983 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.521 HD21 ' N ' ' A' ' 29' ' ' LYS . 1.1 m-80 -87.86 1.32 54.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' LYS . 19.8 t-20 -104.15 -37.53 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -28.73 68.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.24 -179.952 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 124.82 73.52 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.13 -158.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.964 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 m -121.15 153.11 37.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 27' ' ' THR . 77.4 t80 -116.63 174.7 5.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 12.9 t70 176.72 141.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.7 p -134.48 18.19 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -62.96 -44.55 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.999 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.418 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -145.36 131.07 9.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.0 -38.03 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.557 1.82 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.63 -28.09 0.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.445 1.09 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.429 HG13 ' HB2' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.71 171.27 5.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.33 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.797 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -34.96 -53.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.019 -179.989 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -94.18 109.03 20.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 108.297 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.787 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.5 p90 -128.96 163.46 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -65.61 162.69 40.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.98 117.45 4.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.517 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.6 tt -33.2 130.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.954 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.489 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.7 45.52 1.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.31 -179.978 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.46 53.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.549 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.95 151.4 41.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.56 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 1.18 8.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.593 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 87.79 -27.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.93 5.85 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -129.58 20.55 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.802 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -76.47 133.31 39.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.56 -8.04 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 54.63 105.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -11.71 60.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 108.253 -179.956 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.5 80.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.137 . . . . 0.0 111.045 -179.951 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.683 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -146.36 146.4 27.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 0.0 111.008 -179.963 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.483 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.0 -87.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.427 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -56.61 85.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 -179.947 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.535 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.1 m -115.12 120.75 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.582 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -138.93 173.13 5.52 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 35.3 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -172.79 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.88 -36.07 56.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.525 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.61 -25.2 49.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.466 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.2 m120 -96.36 -0.1 49.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 11.6 t30 -97.89 -45.73 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.683 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -53.56 -35.2 60.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.23 71.96 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.8 -157.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.8 m -122.75 148.45 45.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.271 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.8 t80 -116.74 174.36 6.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.2 t70 -179.83 146.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.591 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.3 p -138.57 13.62 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -60.4 -45.92 91.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.235 -179.98 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.479 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -144.77 134.33 11.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -36.47 2.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.528 1.804 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.49 -46.78 2.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.479 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -86.84 170.9 11.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 92.65 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.813 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -32.24 -54.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.2 t -93.55 112.74 24.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.325 179.961 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.802 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -132.37 166.28 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.522 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.2 mttt -68.63 164.72 42.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.07 122.37 7.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.445 1.761 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.6 tt -33.21 135.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.406 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.88 45.39 1.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 108.297 179.95 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.8 52.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.53 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.81 150.12 38.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.573 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.58 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.14 -28.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.48 10.32 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.513 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -133.66 19.22 3.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.823 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.41 134.88 39.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 48.4 t -94.79 -4.63 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 52.85 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -23.32 56.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.302 179.967 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.23 94.16 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 m-85 -139.02 147.9 55.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -76.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.67 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -88.36 83.84 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 -179.998 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.1 m -93.42 138.16 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.626 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.0 p -152.54 172.87 5.05 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.487 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.03 38.43 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.548 ' N ' HD21 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.48 -52.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.596 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.9 tt0 -64.14 -34.58 78.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.626 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.76 -31.39 51.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 108.263 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.548 HD21 ' N ' ' A' ' 29' ' ' LYS . 1.4 m-80 -92.22 0.87 57.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' LYS . 34.7 t30 -102.75 -40.35 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -28.25 63.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.07 73.85 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.095 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.96 -157.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.971 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.4 m -123.42 152.67 41.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.552 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 79.5 t80 -117.44 174.3 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.4 t70 177.92 140.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.595 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.9 p -132.26 15.7 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 -179.928 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -59.49 -48.51 81.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.96 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.494 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.0 135.84 12.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.99 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.05 -37.56 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.555 1.819 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.63 -44.35 1.78 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.494 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -90.43 170.48 10.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 92.97 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.595 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -32.31 -53.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 t -94.28 110.8 22.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.823 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -130.64 162.94 28.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 26.3 mtpt -66.8 165.15 27.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.05 120.13 5.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.429 1.752 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.498 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.3 tt -33.2 139.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.41 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.86 46.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.259 179.973 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.02 54.95 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.551 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.51 151.35 40.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.961 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.551 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.97 2.36 6.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 86.03 -27.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.02 5.33 41.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -129.08 20.51 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.803 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -76.34 136.14 39.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.8 t -93.29 -5.45 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.466 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.9 t0 52.5 102.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.941 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -10.9 60.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.303 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.66 77.08 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -143.43 145.94 33.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 111.015 179.959 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -78.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.686 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.62 97.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.59 179.982 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.3 m -126.1 123.87 64.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.573 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -138.43 174.07 4.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.432 179.933 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 39.51 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.432 1.754 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.0 OUTLIER -178.05 -47.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.1 OUTLIER -69.18 -40.88 77.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -68.18 -28.37 67.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 108.331 -179.966 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 18.3 t30 -95.67 1.98 53.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -94.45 -39.31 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -63.88 -24.29 67.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.84 71.23 0.51 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.112 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.7 -154.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.2 m -127.81 148.09 50.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.4 t80 -115.57 174.15 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.9 t70 -179.67 145.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.577 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.2 p -134.44 13.27 3.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 ttt85 -58.85 -53.71 55.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.479 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -138.64 135.79 18.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -37.32 2.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.41 1.742 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.72 -47.94 3.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.479 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -84.53 170.77 12.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 93.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.562 1.822 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.577 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.0 m0 -34.46 -53.35 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 7.2 t -95.08 109.3 21.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 108.315 179.998 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.803 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -128.51 165.46 20.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -67.34 163.56 45.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.486 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -74.99 118.87 5.42 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -34.3 130.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.475 ' CD ' ' N ' ' A' ' 10' ' ' GLN . 5.6 mm-40 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.53 47.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.72 48.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.54 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -89.94 148.58 39.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 0.19 9.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.605 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 90.37 -23.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 12.28 21.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.54 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -135.22 16.06 3.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.671 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.0 mmt85 -76.26 114.53 15.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.927 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 89.6 t -78.62 -7.92 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.3 t0 58.47 115.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.49 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -84.12 -19.1 34.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.998 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.16 91.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 15.0 m-85 -136.84 145.89 52.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 111.046 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -77.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.459 1.768 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.652 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -85.96 82.49 8.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.976 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.3 m -92.45 138.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.3 p -151.36 172.67 5.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.594 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.04 39.36 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -178.88 -55.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.604 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.1 tt0 -59.5 -45.88 90.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -61.68 -37.49 84.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.334 179.989 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 13.7 t30 -89.2 1.53 55.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' LYS . 53.5 t-20 -98.75 -35.96 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -64.38 -28.61 69.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.82 71.41 0.18 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 172.83 -157.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.965 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -123.46 154.03 39.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 27' ' ' THR . 66.6 t80 -117.7 173.87 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.0 t70 -178.18 141.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.579 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.1 p -132.5 16.31 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -60.58 -49.78 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.493 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.44 135.73 12.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.0 -36.82 2.33 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.468 1.773 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.46 -41.12 1.07 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.591 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -94.09 169.93 9.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.03 90.31 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.579 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.24 -57.13 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.407 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 3.7 t -89.97 117.68 28.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.671 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.4 p90 -139.87 165.51 27.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.2 mttt -67.17 163.21 47.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 123.56 7.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.501 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -34.77 131.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.447 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 2.6 pt20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.447 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -117.01 47.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.277 -179.997 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.35 45.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.539 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -86.14 146.64 43.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.576 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 -0.36 9.87 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.664 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.41 -15.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.72 6.39 48.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 3.4 t70 -132.68 20.03 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.664 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 11.8 mmt85 -75.54 120.55 21.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 91.6 t -83.14 -11.0 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.469 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.4 t0 58.53 115.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.38 -19.87 45.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 108.246 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 66.99 90.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.5 m-85 -140.17 146.86 47.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -69.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.628 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -91.45 84.38 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 179.994 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.5 m -97.27 133.25 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.556 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -148.51 170.25 7.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.05 38.46 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -176.68 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.605 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.0 tt0 -80.49 -36.45 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.45 -31.79 60.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.252 -179.96 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.648 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.1 p30 -87.86 -3.1 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 24.0 t30 -100.97 -40.5 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.607 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.7 -28.69 57.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.27 73.64 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.5 -158.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.969 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.79 152.72 36.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.3 t80 -118.41 173.54 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.553 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.9 t70 -178.11 143.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.594 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.6 p -134.15 15.12 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -50.9 72.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.494 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.77 137.0 13.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.1 Cg_endo -75.07 -37.05 2.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.95 -43.38 1.29 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.585 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -91.95 169.28 11.34 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 0.794 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 90.84 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.538 1.809 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.594 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.9 m0 -29.49 -55.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.2 118.81 30.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 108.286 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.645 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -140.93 168.16 20.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.5 mttt -71.43 164.07 60.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 125.72 9.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.787 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 51' ' ' PRO . 2.0 tt -33.75 142.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.99 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.7 tt0 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.38 47.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 -179.942 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.89 46.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.943 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.52 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.43 147.63 47.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.961 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.563 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.06 1.98 7.17 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.682 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.42 -17.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.26 9.34 40.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.13 18.38 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.682 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 10.1 mmt85 -75.29 119.99 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 20' ' ' ASP . 47.6 t -79.96 -9.41 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.7 t0 54.93 106.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -9.46 58.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 179.967 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.91 86.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -150.32 147.43 21.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.94 -80.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.709 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.57 97.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.53 -179.975 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.2 m -125.4 123.69 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.606 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -139.12 176.64 2.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.97 35.93 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -177.01 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 0.4 OUTLIER -68.43 -37.51 80.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.548 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -73.5 -27.44 61.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 20.9 t-20 -94.98 1.58 55.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -93.0 -39.52 11.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.61 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -63.03 -25.77 68.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.83 70.82 0.47 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.75 -154.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.965 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.0 m -125.86 150.18 48.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 108.304 179.988 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.3 t80 -117.81 173.86 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.568 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.8 t70 -175.72 147.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.577 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.0 p -137.48 11.88 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.984 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -59.74 -52.11 66.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.481 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.75 134.23 14.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -36.05 2.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.94 -46.12 2.26 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.591 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -87.14 171.25 10.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 90.4 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.577 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.2 m0 -30.33 -57.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 179.998 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.449 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.5 t -89.54 120.46 30.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.293 179.984 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.659 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.6 p90 -142.71 166.98 23.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 19.5 mtpt -70.52 165.93 40.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.93 128.14 11.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.437 1.756 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -36.4 137.13 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.426 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 4.2 pt20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.426 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 2.3 m -116.3 47.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 -179.949 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.32 51.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.544 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.69 150.75 41.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.544 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 2.96 6.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.604 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 85.83 -27.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.81 5.76 38.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.519 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -130.21 21.15 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.799 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -76.57 130.88 38.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' ASP . 4.3 t -87.53 -7.09 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t0 54.14 105.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -11.67 60.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.286 -179.975 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.15 76.29 0.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.159 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -143.34 144.88 29.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.985 -179.96 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -79.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.695 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -64.65 96.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.619 179.954 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.51 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.9 m -126.38 125.8 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.593 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.74 173.17 5.35 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 -179.966 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 39.94 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.01 -47.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.36 -40.44 74.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.4 -28.32 64.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 108.311 179.998 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -93.88 -1.29 55.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -96.26 -41.26 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.606 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.53 -23.36 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.91 72.91 0.61 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.16 -153.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 13.8 m -127.53 147.55 50.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.269 179.998 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.0 t80 -116.22 174.31 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.0 t70 178.98 144.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.594 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.8 p -135.8 16.43 3.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -47.77 77.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.433 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -141.33 133.3 13.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.96 -38.41 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.47 -44.58 2.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -87.26 170.3 12.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 92.7 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.594 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.3 m0 -33.55 -53.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.015 179.959 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.487 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.9 t -95.15 110.57 22.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 108.33 -179.995 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.799 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -129.34 168.83 15.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.947 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -71.03 162.94 69.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.97 120.02 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.5 tt -34.69 135.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.406 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.2 mt-30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.84 46.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 108.292 -179.98 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.68 46.74 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.934 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.539 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -89.56 147.89 38.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.596 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 -0.42 9.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.614 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 91.14 -23.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.97 9.93 31.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.539 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -133.3 17.34 4.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.4 mmt85 -75.77 119.83 20.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -83.7 -9.55 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 59.47 119.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.2 -20.41 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.58 90.73 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.4 m-85 -139.76 147.62 52.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.626 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -91.62 85.76 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.595 -179.972 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.4 m -97.85 128.24 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.7 p -141.53 170.42 9.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.5 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.74 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.613 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -78.11 -37.02 47.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.982 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.534 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -73.94 -29.52 62.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 179.971 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.46 HD21 ' N ' ' A' ' 29' ' ' LYS . 2.1 m-80 -90.02 -3.56 57.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 28.7 t30 -101.06 -40.68 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.588 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.23 -27.05 43.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.71 72.97 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.53 -158.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.97 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.06 153.59 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.8 t80 -118.56 173.87 6.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.1 t70 -178.39 144.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.587 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.6 p -135.99 15.54 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -48.14 82.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.82 137.11 12.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 -37.46 2.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.45 -45.78 1.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.582 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -89.4 169.03 13.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.355 179.973 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 91.04 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.26 -55.99 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.05 118.31 30.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.998 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 9.1 p90 -140.48 167.98 20.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -71.65 163.0 69.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.01 124.56 8.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.511 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.6 tt -31.49 136.52 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.4 mt-30 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.26 43.34 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.87 53.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.0 151.08 40.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.563 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 1.16 8.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.586 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.12 -26.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.57 6.99 35.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -131.04 20.92 4.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.819 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.3 mmt180 -76.16 138.08 40.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 20' ' ' ASP . 69.3 t -96.68 -3.66 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.466 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 7.3 t0 49.69 99.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.19 -24.68 62.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.52 93.48 0.05 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.064 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.4 m-85 -138.07 147.39 55.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.538 0.787 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.626 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -89.82 84.09 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.634 179.933 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 21.8 m -94.1 139.06 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.645 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.9 p -151.44 173.65 4.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 36.22 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 33' ' ' ASN . 4.8 tmtm? -177.6 -53.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.543 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -61.83 -32.26 72.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.645 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -78.35 -39.98 37.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 108.319 -179.973 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.65 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.2 p30 -85.1 1.66 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LYS . 5.0 t30 -105.42 -36.5 7.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -25.44 66.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 123.8 70.6 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.83 -156.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 180.0 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.2 m -123.33 153.6 40.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.618 ' CD1' ' O ' ' A' ' 27' ' ' THR . 72.4 t80 -117.45 174.26 6.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.2 t70 179.81 141.16 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.577 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.5 p -130.2 13.81 5.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -53.31 59.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.512 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.91 137.45 16.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.94 -38.08 1.78 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.039 179.962 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.15 -46.57 1.89 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.512 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -87.84 170.8 10.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 054 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 93.93 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.577 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -33.69 -51.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.954 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 t -95.31 111.7 23.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 -179.988 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.819 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -132.18 162.21 31.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.3 mtpt -66.37 164.96 26.52 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.04 120.07 5.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.464 1.77 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.541 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.3 tt -35.35 125.54 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.494 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 4.7 tt0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.59 47.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 108.291 -179.999 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.29 55.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.552 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.32 151.52 40.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.552 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 1.91 7.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.809 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.605 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 86.73 -27.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 3.92 46.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -128.1 21.58 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.801 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -77.07 135.21 38.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 1.6 t -94.15 -8.16 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.0 t0 54.65 105.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -13.47 61.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.75 78.54 0.12 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.694 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -145.52 146.78 30.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.971 -179.969 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.02 -86.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.99 85.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.958 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.547 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.6 m -113.85 118.92 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.571 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -137.57 173.09 5.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.965 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 37.0 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.757 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.0 tmtm? -174.5 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 3.3 tt0 -77.18 -37.52 53.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.958 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.93 -27.85 60.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.931 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -94.11 -1.47 54.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.8 t30 -95.02 -44.95 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.694 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.5 -34.97 62.6 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.48 69.99 0.19 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.98 -157.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.97 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.1 m -122.44 147.94 45.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.247 -179.948 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.1 t80 -116.66 173.51 6.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.6 t70 -178.63 148.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.587 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 86.3 p -138.51 13.77 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -49.54 77.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -141.81 135.05 14.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.967 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.35 -46.64 2.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -86.43 170.43 12.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 92.87 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -32.6 -54.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.014 179.97 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.4 t -93.67 111.03 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 -179.999 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.801 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -130.68 165.59 22.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -67.57 164.78 35.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.0 121.72 6.76 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.513 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.3 tt -34.94 128.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.0 47.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 108.289 179.985 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.25 40.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.523 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -92.02 153.09 43.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.03 -59.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 161.16 -23.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 0.87 57.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -118.29 12.04 13.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.756 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.8 mmt85 -76.85 106.04 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.5 t -66.53 -12.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.519 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 51.2 t0 60.01 116.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -14.59 56.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 108.341 179.986 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.91 70.15 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -137.61 143.64 41.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.561 0.801 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -81.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.734 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -64.08 96.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.637 179.971 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 48' ' ' CYS . 18.6 m -126.17 136.33 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.634 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 10.1 p -143.36 170.92 7.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.06 36.09 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.97 -48.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 3.1 tp10 -67.78 -29.92 69.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.634 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -81.45 -28.74 34.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.995 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.74 3.0 56.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -104.07 -36.2 7.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.58 -27.47 68.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.73 70.73 0.27 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.134 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.96 -155.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.991 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -126.4 154.55 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 61.5 t80 -120.68 175.09 6.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.582 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 7.9 t70 179.3 143.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -135.95 15.42 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.15 -40.27 97.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.477 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.2 130.45 6.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -29.72 7.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.51 -28.23 4.76 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.946 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.541 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -104.76 172.07 4.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.04 88.77 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.1 m0 -31.49 -55.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.986 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.506 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.8 t -93.47 110.29 21.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.342 179.987 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.756 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.8 p90 -131.28 165.8 22.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.6 mttt -63.62 161.85 32.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.96 125.42 9.34 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.461 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -37.37 130.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.46 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.78 47.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.77 51.23 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.527 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.89 149.75 40.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.985 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.56 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.95 1.79 7.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.567 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 87.8 -25.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.94 10.14 22.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.24 20.11 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.796 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -75.79 126.09 30.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' ASP . 43.7 t -87.34 -3.35 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.483 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 3.1 t70 39.85 91.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -16.22 64.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.996 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.91 103.07 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 19.2 m-85 -142.07 145.23 35.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -82.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.609 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -82.17 83.17 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.657 179.98 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.7 m -92.33 138.76 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.564 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.1 p -152.57 170.01 8.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.606 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 39.34 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.92 -43.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.609 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.7 tt0 -73.61 -42.2 61.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.8 -34.42 76.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.29 -179.979 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -86.35 -4.66 59.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 19.8 t-20 -98.46 -39.95 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.583 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -58.17 -23.28 54.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.47 73.16 0.5 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 172.79 -155.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.996 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -125.59 149.06 48.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.6 t80 -115.4 173.66 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.55 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.1 t70 -177.66 141.73 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.565 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.7 p -132.38 14.87 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -49.44 77.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.485 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.06 134.07 13.52 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -36.04 2.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.16 -46.89 3.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -86.73 171.14 10.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.542 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 92.34 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.47 -52.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.989 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.419 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.5 t -93.69 126.97 39.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 108.328 -179.982 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.796 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -149.2 164.5 34.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -65.63 163.6 33.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.0 122.84 7.46 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.3 tt -35.04 129.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -106.39 43.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.967 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.6 44.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.563 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -96.49 157.24 35.73 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.563 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -59.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.592 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 160.0 -25.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 -8.13 52.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.456 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -109.29 14.37 23.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.796 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 3.5 mmt180 -77.49 104.62 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.8 t -62.33 -14.3 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.505 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 64.9 t0 59.79 115.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.58 -10.11 59.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 108.328 -179.994 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.96 70.54 0.89 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -136.68 144.08 45.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -81.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.711 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.87 97.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.563 -179.977 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 21.4 m -126.75 134.59 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.721 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 11.6 p -142.76 169.36 10.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.02 36.54 0.44 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.31 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.512 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.34 -26.91 62.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.721 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -82.01 -28.87 32.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.325 179.986 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.409 HD21 ' CA ' ' A' ' 29' ' ' LYS . 2.0 m-80 -92.44 4.73 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -103.76 -35.14 8.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.58 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.63 -28.21 69.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.981 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.46 70.84 0.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.045 -179.953 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.32 -155.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -126.08 155.54 41.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 65.0 t80 -120.97 175.21 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 24.1 t70 178.43 143.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.615 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.7 p -134.36 13.71 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -43.46 95.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -148.39 131.52 8.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 -35.48 3.13 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.09 -25.45 1.05 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -105.46 171.37 4.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 0.0 109.285 -179.931 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 89.46 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.615 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.7 -53.91 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 108.022 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.4 t -94.59 109.09 21.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 108.328 179.947 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.796 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 3.7 p90 -129.47 165.89 20.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 6.0 mttt -65.18 161.5 48.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.96 123.69 8.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.3 tt -38.19 127.86 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.924 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.456 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.9 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 49.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.326 179.983 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.74 50.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.528 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.29 148.68 41.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.579 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 0.73 8.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.63 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.82 -21.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.7 12.53 23.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.509 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -136.11 16.59 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.673 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.0 mmt85 -75.85 118.96 19.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.6 t -82.27 -9.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 57.23 110.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -19.6 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 108.316 179.988 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.2 93.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.8 m-85 -139.54 147.05 50.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -73.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -89.48 85.62 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.618 179.959 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.564 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 21.5 m -96.5 139.11 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.608 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.2 p -151.53 172.92 4.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.613 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 38.35 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.11 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.599 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -60.08 -44.16 94.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.558 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -65.07 -41.14 95.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 180.0 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -82.0 -2.45 51.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.358 179.977 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LYS . 49.5 t-20 -101.09 -36.06 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.54 -27.07 67.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 -179.99 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.2 70.55 0.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 169.95 -157.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -179.955 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -121.14 154.13 36.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.282 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.613 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.7 t80 -118.34 174.74 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.8 t70 -178.68 142.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.578 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.5 p -133.85 15.83 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -49.21 78.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.492 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.94 135.07 11.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.5 3.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.41 -42.81 1.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.599 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -92.69 170.89 8.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.55 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 91.87 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.578 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.2 m0 -31.02 -56.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 107.988 -179.973 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 t -89.92 118.44 29.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 108.264 179.984 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.673 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.4 p90 -140.65 165.32 27.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.939 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.519 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.1 mtpt -67.27 165.02 31.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -74.97 126.78 10.21 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -35.55 144.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 059 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' LEU . 4.3 pt20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.7 OUTLIER -113.32 44.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.321 179.985 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.65 42.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.02 147.66 58.42 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 2.36 6.71 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.647 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.33 -18.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.509 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.3 11.0 31.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.5 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.11 17.24 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.663 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.5 mmt85 -76.02 119.01 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 55.4 t -82.85 -8.1 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.1 t0 57.45 112.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -21.66 40.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 108.279 -179.958 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 68.83 93.11 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.8 m-85 -138.42 146.74 52.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -78.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.67 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -85.64 81.53 8.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.582 -179.98 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 19.7 m -90.35 140.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.623 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.9 p -152.59 173.2 4.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.607 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 37.01 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -177.76 -53.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.6 tt0 -62.0 -33.76 74.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.623 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.72 -38.17 47.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.645 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.8 p30 -88.89 5.65 42.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LYS . 11.6 t30 -107.78 -38.07 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.95 -27.43 66.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 127.02 72.13 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 -179.981 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 168.94 -157.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.98 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.7 m -122.39 155.2 36.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.953 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.2 t80 -120.13 174.51 6.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.1 t70 -178.22 145.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.605 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.7 p -134.73 12.4 3.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 -179.974 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -51.63 68.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.484 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.7 137.06 13.32 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.92 -35.95 2.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.51 -42.94 1.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.587 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -92.36 169.99 9.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 060 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 90.64 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.605 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.2 m0 -29.81 -56.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 108.032 179.993 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 t -89.78 118.74 29.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.323 179.968 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.663 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.1 p90 -141.6 166.76 23.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.5 mttt -71.64 164.08 60.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.03 124.59 8.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.494 ' C ' ' O ' ' A' ' 51' ' ' PRO . 2.2 tt -32.9 141.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.95 46.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.312 179.968 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.03 43.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.558 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -85.86 147.37 45.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.579 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 -0.52 10.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.628 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.45 -18.28 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.516 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.81 7.53 45.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.533 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 3.8 t70 -133.05 19.41 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.0 mmt85 -76.22 99.23 4.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' ASP . 39.1 t -63.14 -15.46 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.504 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.3 t0 56.11 112.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.43 -15.67 42.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 108.279 -179.995 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.13 102.78 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 20.3 m-85 -141.99 145.27 35.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -85.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.618 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -79.3 81.06 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.592 179.987 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 19.8 m -89.58 137.59 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.587 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.7 p -151.74 171.58 6.41 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 40.07 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -179.86 -46.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -68.8 -43.34 75.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -66.19 -31.98 73.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.995 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 14.0 t30 -92.4 -0.53 57.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 11.3 t-20 -96.56 -39.38 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.23 -24.7 67.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.59 75.09 0.44 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.44 -159.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -123.28 149.45 44.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.8 t80 -115.58 173.7 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.556 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 2.1 t70 -177.65 142.84 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.589 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.8 p -132.88 12.01 4.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -50.45 72.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.485 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.35 136.54 13.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.96 -35.72 3.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.36 -46.48 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.572 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -88.48 170.06 12.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 061 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.592 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 89.54 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.592 ' C ' ' O ' ' A' ' 46' ' ' PRO . 6.5 m0 -27.89 -56.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.966 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.6 t -89.21 128.36 35.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 108.249 -179.965 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -151.44 163.6 38.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 19.7 mtpt -65.63 164.97 21.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.06 123.37 7.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.53 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -34.07 125.97 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.486 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.453 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.08 45.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.976 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.57 45.86 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.583 HG22 ' CE1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -100.04 149.87 36.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.53 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.531 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 161.16 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 179.976 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.44 6.38 47.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' OD2' ' CG1' ' A' ' 13' ' ' VAL . 12.3 t0 -123.92 11.25 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.744 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.6 mmt85 -76.56 114.42 15.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -80.48 -10.67 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 59.1 117.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.31 -21.34 29.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.19 91.19 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 34' ' ' ARG . 9.2 m-85 -138.76 148.99 60.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -73.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.6 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -91.31 87.45 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.617 -179.999 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.2 m -99.15 137.33 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.575 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.5 p -150.69 172.01 5.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 39.02 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.73 -48.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.6 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.2 tt0 -69.12 -41.06 77.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.575 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -68.44 -40.5 81.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.98 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -81.09 -4.42 55.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 20.0 t30 -100.56 -37.86 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.588 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 4.1 tpt85 -58.56 -26.73 63.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.8 72.11 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.19 -158.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.963 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -119.88 152.13 37.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.9 t80 -116.19 173.37 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.3 t70 179.5 139.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.593 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.8 p -132.2 17.45 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.097 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -59.78 -43.85 94.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.437 HD12 ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -150.3 133.82 8.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -75.02 -30.62 6.93 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.33 -30.95 4.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.552 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -103.96 171.78 4.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.956 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.548 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 89.98 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.593 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.7 m0 -31.26 -56.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 107.99 -179.993 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -92.58 113.15 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.987 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.744 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.3 p90 -133.39 166.12 23.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.478 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -62.11 164.06 11.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.529 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.95 123.54 7.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.529 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -30.62 127.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.431 ' HG3' ' SG ' ' A' ' 37' ' ' CYS . 5.5 pt20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -114.14 43.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 -179.963 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.19 47.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.563 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -87.03 148.83 46.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.546 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.04 0.81 8.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.595 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 86.82 -15.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.45 3.77 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.533 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 5.5 t0 -132.02 23.57 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -74.94 128.76 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 20' ' ' ASP . 39.8 t -84.24 -7.74 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.473 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 59.4 t0 52.27 104.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -10.99 60.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.985 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.82 81.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.685 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -145.89 146.83 30.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.75 . . . . 0.0 111.036 179.977 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.99 -87.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.07 86.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.612 -179.975 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.536 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.8 m -115.87 119.22 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.564 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -137.93 172.88 6.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.612 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.03 36.59 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -174.39 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -78.9 -36.5 41.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -76.55 -27.8 56.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.244 -179.946 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -94.96 2.61 55.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.239 -179.943 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.8 t-20 -99.9 -44.36 6.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.685 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.59 -35.15 65.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.08 71.45 0.17 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 -157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.975 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 22.4 m -122.98 147.48 46.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.612 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.1 t80 -115.12 173.82 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 2.4 t70 179.46 143.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.609 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.9 p -135.99 18.46 3.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -66.25 -45.27 81.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.413 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.83 132.54 11.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 -37.49 2.01 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.04 -41.71 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.416 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -92.31 170.08 9.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 91.75 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -31.49 -53.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 108.0 -179.969 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.9 t -94.49 111.2 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 108.331 179.941 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.6 p90 -131.48 166.3 21.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 18.8 mtpt -72.36 165.88 46.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.556 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.08 122.83 7.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.5 tt -34.14 138.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 063 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.436 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.63 47.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.14 45.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.524 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.04 148.05 59.38 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 064 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.546 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 3.21 5.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.8 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.647 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 86.99 -18.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.11 11.08 31.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 064 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -135.01 16.41 3.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 064 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.669 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 8.7 mmt85 -76.35 109.17 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 t -75.22 -7.02 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.4 t70 58.29 115.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.22 -22.15 28.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 108.317 179.977 . . . . . . . . 3 3 . 1 . 064 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.22 98.27 0.04 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.96 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 17.9 m-85 -145.07 144.97 25.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.667 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -91.03 85.84 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.591 179.992 . . . . . . . . 3 3 . 1 . 064 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.5 m -98.86 137.94 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 1.7 p -146.84 169.69 9.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 41.56 0.76 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -179.34 -50.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 064 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 30' ' ' GLU . 10.1 tm-20 -65.28 -46.6 79.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -62.22 -34.61 76.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 108.291 -179.984 . . . . . . . . 3 3 . 1 . 064 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 7.4 t-20 -88.85 -5.85 57.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 57.9 t-20 -98.26 -39.93 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -57.07 -24.33 53.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.937 . . . . . . . . 3 3 . 1 . 064 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.19 71.51 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.9 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.991 . . . . . . . . 3 3 . 1 . 064 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -125.74 152.66 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.299 179.962 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 67.4 t80 -118.41 175.1 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.572 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 -179.32 143.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.59 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -133.75 14.37 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -50.39 74.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.486 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.2 134.54 12.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 064 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -35.48 3.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.93 -41.45 1.94 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.59 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -93.25 170.89 7.98 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 064 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 91.76 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.568 1.825 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.59 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -31.57 -56.59 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 107.986 -179.989 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.5 t -90.08 116.32 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 -179.956 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -138.87 166.35 24.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.8 mttt -68.1 163.51 50.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.97 123.9 8.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.517 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.1 tt -32.98 133.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.6 pt20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.79 46.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 108.29 179.99 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.83 41.53 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -84.44 147.1 48.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 065 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.06 4.21 4.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.667 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 85.33 -16.71 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.54 9.35 40.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 065 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.68 17.65 3.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 065 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.687 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.2 mmt85 -75.75 114.41 14.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -80.36 -7.18 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.94 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' VAL . 5.2 t0 58.73 117.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.958 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.485 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.26 -19.32 31.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.977 . . . . . . . . 3 3 . 1 . 065 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.37 91.07 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 15.6 m-85 -137.42 145.76 50.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -79.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 0.0 110.962 179.999 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.644 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -84.27 81.89 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.597 -179.961 . . . . . . . . 3 3 . 1 . 065 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -91.7 138.41 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.625 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.9 p -152.74 173.13 4.82 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.953 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.465 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 18.2 Cg_endo -75.02 37.66 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.8 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.522 ' N ' HD21 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.84 -53.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 065 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.481 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.1 tt0 -63.24 -35.47 80.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -76.39 -30.85 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.331 179.991 . . . . . . . . 3 3 . 1 . 065 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.522 HD21 ' N ' ' A' ' 29' ' ' LYS . 1.2 m-80 -93.43 3.04 56.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' LYS . 18.8 t-20 -104.76 -38.99 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.78 -29.96 67.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.2 73.35 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.437 1.086 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.45 -159.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.998 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.83 155.86 33.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 78.0 t80 -119.09 174.27 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.576 ' O ' ' CG ' ' A' ' 47' ' ' TRP . 19.8 t70 178.48 144.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.614 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.8 p -139.49 17.21 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 179.98 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -63.6 -34.19 77.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.506 HD11 ' CG1' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -155.49 132.46 6.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 065 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 -37.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.41 -33.8 0.35 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -100.94 168.47 9.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 065 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.591 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 88.76 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 10.5 m0 -27.96 -57.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.99 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 t -89.33 117.47 28.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 -179.99 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.687 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -139.42 165.94 25.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -67.89 162.93 54.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 065 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 122.28 7.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.8 tt -33.13 136.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.407 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 1.1 tt0 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -108.94 46.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.303 -179.988 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.36 41.93 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.532 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -91.76 153.58 43.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.03 -58.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.547 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 159.65 -22.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.44 -1.89 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.525 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -114.86 11.62 16.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.753 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.3 mmt85 -77.2 110.46 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 20' ' ' ASP . 23.5 t -73.15 -8.86 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.527 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 65.3 t0 59.4 117.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -18.23 46.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 -179.995 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.52 72.63 0.61 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -138.5 145.72 47.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.438 0.728 . . . . 0.0 111.012 179.943 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -79.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.693 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -69.03 99.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 -179.967 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.535 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.3 m -125.19 125.36 69.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.747 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 12.6 p -130.75 168.13 18.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 179.988 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.634 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 36.22 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -175.59 -46.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.3 OUTLIER -73.04 -27.34 61.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.289 -179.949 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.747 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.8 OUTLIER -79.46 -32.53 42.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.293 179.987 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -90.95 1.07 57.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -104.26 -38.81 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.572 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 3.3 tpt85 -58.63 -26.7 64.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 123.72 72.54 0.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.18 -157.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.993 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -123.86 155.71 37.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 108.246 -179.94 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.7 t80 -120.0 175.99 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.578 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 176.89 141.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.602 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.0 p -134.28 15.39 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.011 179.929 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -38.99 89.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -153.38 133.49 7.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -33.97 4.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.58 -37.68 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.537 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -96.09 171.14 6.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.2 Cg_endo -74.98 92.02 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.602 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.1 m0 -33.43 -54.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.51 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 3.9 t -94.27 108.46 20.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.753 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.6 p90 -129.13 166.32 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.0 mttt -63.42 161.26 35.37 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.472 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.02 124.13 8.38 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 066 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -36.28 137.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 066 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.4 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -115.6 48.44 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.61 45.07 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.524 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -86.49 147.92 45.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.583 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 1.08 8.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.84 -24.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.38 14.59 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -138.46 17.14 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.688 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.25 122.68 24.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 20' ' ' ASP . 62.2 t -82.53 -9.75 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.0 t70 56.65 109.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -10.44 59.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.97 87.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.097 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.707 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -151.97 147.02 19.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.02 -85.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.437 1.756 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -58.97 84.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 109.637 -179.994 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.562 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.1 m -112.65 117.54 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.931 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.579 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -138.7 173.78 4.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.415 179.966 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.616 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 36.46 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -174.31 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.997 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.31 -35.71 40.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -78.07 -26.15 48.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 108.307 179.986 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -96.09 2.84 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.7 t30 -98.87 -44.23 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.707 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.87 -34.77 63.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.41 69.66 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.37 -155.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.5 m -123.49 149.51 45.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.616 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.3 t80 -118.5 173.98 6.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.0 t70 -176.37 147.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.587 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.6 p -137.55 12.5 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -51.06 71.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.498 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.23 135.93 14.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 -36.78 2.38 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.78 -47.13 1.75 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.579 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -86.91 170.04 13.26 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.582 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 89.75 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.9 m0 -28.67 -57.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 108.023 -179.987 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.07 121.01 31.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 -179.981 . . . . . . . . 1 1 . 1 . 067 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.688 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.9 p90 -143.13 165.89 26.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.519 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.9 mtpt -69.9 165.13 45.38 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.03 127.89 11.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -35.19 136.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.475 ' CG ' ' HB3' ' A' ' 51' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.37 47.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.979 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.52 51.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.55 150.4 41.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 068 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 3.03 5.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.603 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 85.73 -26.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 6.78 35.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -131.01 20.39 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 068 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.803 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -76.18 129.92 37.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.998 . . . . . . . . 3 3 . 1 . 068 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.3 t -86.72 -5.23 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 19' ' ' VAL . 60.6 t0 50.98 103.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -12.57 61.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 108.341 179.972 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.2 77.3 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -143.88 145.98 32.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.453 0.737 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 068 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -82.76 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.687 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -62.45 96.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 179.986 . . . . . . . . 3 3 . 1 . 068 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.7 m -126.51 124.15 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.574 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -138.23 173.67 5.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.98 . . . . . . . . 3 3 . 1 . 068 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 38.85 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.43 -45.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 068 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.6 OUTLIER -71.44 -38.62 71.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 068 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -72.88 -29.33 63.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 -179.993 . . . . . . . . 3 3 . 1 . 068 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -94.05 2.7 55.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 068 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.0 t30 -101.62 -39.73 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.561 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -60.92 -23.95 65.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 068 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.75 73.69 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.59 -154.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.467 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -126.98 147.99 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 179.988 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.5 t80 -114.62 174.39 5.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.0 t70 177.26 145.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.615 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.7 p -140.13 19.56 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.958 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -33.23 72.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.468 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.94 128.13 4.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 068 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -37.87 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.05 -27.87 0.44 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -104.35 170.54 5.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 068 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 90.2 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.615 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -32.4 -54.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.016 -179.994 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.456 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.2 t -93.78 111.96 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.803 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -131.99 166.31 21.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -68.53 163.49 53.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.96 124.16 8.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.2 tt -34.38 133.25 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 068 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.452 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.13 47.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 108.256 -179.977 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.94 43.6 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.508 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -85.55 146.54 44.47 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 2.08 7.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.673 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.84 -18.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.22 10.28 34.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.983 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.493 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -135.44 18.77 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.3 mmt85 -75.9 115.56 15.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.01 -11.48 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.508 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t70 57.73 108.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.21 -8.78 57.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.24 80.08 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -147.57 143.23 17.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -79.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.437 1.756 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.713 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.02 93.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.575 180.0 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.521 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.7 m -126.02 127.97 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.593 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -140.47 175.92 2.83 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -179.997 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 35.41 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.55 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 0.0 OUTLIER -67.7 -32.39 73.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -82.04 -26.88 33.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 -179.997 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -94.42 0.68 55.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 27.0 t-20 -101.58 -39.17 7.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.605 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.47 -23.58 64.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.971 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.61 75.36 0.6 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.72 -154.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -126.82 150.25 49.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 108.303 -179.957 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.4 t80 -117.75 174.95 5.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.5 t70 -178.87 143.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.589 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.4 p -135.69 17.06 3.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.979 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -66.03 -48.98 69.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.454 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -141.08 132.84 13.82 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.95 -36.44 2.59 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.6 -43.18 2.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.105 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 069 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.585 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -89.69 170.14 11.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 89.67 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.589 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -29.5 -57.82 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.994 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.445 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.6 t -89.86 119.46 30.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -141.58 166.84 23.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.527 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.0 mtpt -70.8 165.47 46.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 127.11 10.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 069 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -35.08 135.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 069 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' NE2' ' OD2' ' A' ' 17' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 48.14 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.9 45.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -88.09 147.65 41.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 070 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.53 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 3.65 5.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.705 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 85.43 -15.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.95 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -97.05 7.22 47.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 070 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.43 18.89 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 070 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.705 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 10.7 mmt85 -73.96 120.15 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.2 t -80.22 -11.61 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.485 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.8 t70 57.9 108.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -15.33 61.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 -179.98 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.6 79.87 0.1 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.682 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -145.8 146.92 30.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 070 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.96 -86.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.89 85.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.62 -179.994 . . . . . . . . 3 3 . 1 . 070 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.539 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.8 m -114.15 118.94 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.504 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.0 p -135.83 172.72 6.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.63 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 36.22 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 27' ' ' THR . 3.2 tmtt? -174.4 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -76.93 -37.4 55.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -75.5 -27.61 58.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.262 -179.948 . . . . . . . . 3 3 . 1 . 070 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.18 2.92 53.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 070 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 6.8 t30 -100.59 -42.98 6.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.682 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -57.04 -33.8 67.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 070 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.41 72.32 0.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 178.37 -157.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.967 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 m -123.2 148.91 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.325 179.951 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.2 t80 -116.83 174.24 6.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.568 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.0 t70 -178.92 143.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.582 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.0 p -133.2 13.92 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 179.962 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -54.26 48.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.407 ' O ' HD11 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -142.15 138.64 16.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 070 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.96 -36.97 2.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.788 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.5 -38.8 1.05 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -94.85 168.15 11.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 070 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.595 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 87.83 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.595 ' C ' ' O ' ' A' ' 46' ' ' PRO . 7.3 m0 -27.47 -57.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -90.0 119.76 30.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 108.329 179.992 . . . . . . . . 1 1 . 1 . 070 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.681 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.2 p90 -141.89 164.47 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -66.98 164.39 35.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 126.33 9.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.473 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.1 tt -35.27 132.55 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 070 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.354 179.939 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.96 45.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.981 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.46 47.76 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.541 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -88.43 147.85 40.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.95 2.02 7.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.616 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.5 -18.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.513 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.46 11.85 29.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.85 16.67 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 7.7 mmt85 -76.16 96.77 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 20' ' ' ASP . 66.8 t -62.59 -14.36 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.5 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.8 t0 56.19 111.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.971 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.11 -13.53 49.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.242 -179.982 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.17 102.38 0.04 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 17.6 m-85 -141.58 144.59 33.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.647 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -79.86 81.02 6.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.566 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.2 m -89.52 137.21 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.7 p -150.17 172.42 5.3 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.598 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 39.57 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -178.8 -54.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.953 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.583 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -60.78 -44.81 96.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -63.52 -34.98 78.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 108.252 -179.965 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 12.2 t30 -90.63 0.13 57.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' LYS . 40.5 t-20 -97.96 -37.31 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.606 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -64.83 -21.87 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.33 73.79 0.49 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 -179.967 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.24 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -126.72 150.36 49.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.263 -179.999 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 27' ' ' THR . 64.9 t80 -116.27 174.44 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.4 t70 -177.52 144.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.587 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.1 p -134.29 12.07 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -49.66 76.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.494 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.68 134.73 12.49 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -34.75 3.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.34 -46.95 2.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 071 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.58 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -87.83 170.88 10.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.741 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 071 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.576 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.01 90.59 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.3 m0 -29.15 -56.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 107.948 -179.972 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.488 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.4 t -89.47 128.02 35.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 108.313 -179.98 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.1 p90 -151.73 165.27 34.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.521 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.1 mttt -67.87 164.13 43.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.95 124.66 8.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.438 1.757 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.7 tt -34.49 129.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 071 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.707 ' NE2' ' H ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.459 ' OE1' ' N ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -105.96 40.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 108.276 -179.978 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.53 41.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -80.8 147.23 61.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.579 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.91 1.16 8.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.631 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.79 -18.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.533 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.86 9.38 37.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -132.95 16.73 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.0 mmt85 -76.05 112.38 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 61.9 t -76.26 -7.14 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.9 t0 57.63 112.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -82.05 -20.23 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.971 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.04 97.86 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 21.4 m-85 -146.68 140.74 15.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.771 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.558 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.2 82.75 6.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 -179.999 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.7 m -97.14 139.65 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.596 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 7.3 p -149.58 170.96 6.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.42 179.953 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.579 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 35.84 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.23 -49.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.46 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.5 OUTLIER -64.85 -33.02 75.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.596 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -79.44 -26.64 41.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.317 179.965 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.471 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -96.51 1.45 51.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LYS . 32.8 t-20 -104.7 -37.16 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.69 -31.05 70.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 129.62 73.6 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 167.09 -158.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.963 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -123.12 155.71 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 108.265 -179.978 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.9 t80 -119.91 174.74 6.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 14.6 t70 -179.34 143.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.605 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.7 p -133.48 13.6 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -57.21 -50.99 71.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.489 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.31 135.41 12.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.97 -35.71 3.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.5 -36.89 0.73 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.576 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -98.62 169.96 7.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.541 0.789 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 072 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.572 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 89.88 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.605 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.8 m0 -29.46 -57.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 t -88.65 117.5 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 108.316 179.966 . . . . . . . . 1 1 . 1 . 072 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.9 p90 -140.97 166.37 24.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.518 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.9 mttt -72.03 163.92 63.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 123.27 7.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.505 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.8 tt -32.23 135.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 072 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.423 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.429 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 2.7 pt20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.429 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 1.6 m -115.46 46.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 108.258 -179.976 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.13 57.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.542 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.21 152.41 39.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.948 . . . . . . . . 3 3 . 1 . 073 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.542 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 2.53 6.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.587 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 85.32 -25.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.05 4.23 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -128.09 20.96 6.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.96 . . . . . . . . 3 3 . 1 . 073 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.785 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.07 135.92 39.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 179.985 . . . . . . . . 3 3 . 1 . 073 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 20' ' ' ASP . 11.5 t -94.13 2.13 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.3 t0 43.69 95.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -23.66 63.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 108.264 -179.984 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.0 96.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.568 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 12.0 m-85 -138.78 150.11 64.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -79.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.628 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -87.8 86.35 7.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 179.972 . . . . . . . . 3 3 . 1 . 073 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -95.22 139.99 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.543 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -152.84 170.86 7.47 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.612 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 40.28 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -178.7 -47.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 073 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.628 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -68.72 -44.03 74.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.355 179.961 . . . . . . . . 3 3 . 1 . 073 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -64.73 -39.53 93.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.965 . . . . . . . . 3 3 . 1 . 073 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -81.8 -4.18 55.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 073 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.1 t30 -100.14 -37.09 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 5.7 tpt85 -59.62 -27.22 66.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.94 71.7 0.25 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.28 -157.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.963 . . . . . . . . 3 3 . 1 . 073 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.3 m -121.35 151.61 39.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.273 179.988 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.612 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.8 t80 -114.88 173.59 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.6 t70 177.24 140.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.593 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 80.6 p -131.17 17.37 5.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -58.63 -49.18 78.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.426 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.99 134.47 11.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 073 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -37.44 2.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.94 -28.21 0.68 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.426 HG23 ' CD1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -104.89 170.63 5.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 073 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 91.49 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.593 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.1 m0 -33.87 -52.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 107.988 -179.98 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.45 109.58 21.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 073 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.785 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -129.44 164.65 23.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.2 mttt -68.3 164.9 38.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 120.58 6.13 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.529 ' C ' ' O ' ' A' ' 51' ' ' PRO . 2.9 tt -30.19 99.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.498 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.6 mt-30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.2 42.6 1.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.309 -179.957 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.24 43.59 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.528 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -85.37 147.74 47.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.585 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 0.93 8.3 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.689 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 90.31 -21.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.28 12.84 23.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -137.92 18.2 2.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.697 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.7 mmt85 -74.62 118.91 18.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.8 t -74.92 -9.61 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.947 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.544 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 53.4 t0 54.95 104.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -17.36 63.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 -179.997 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.75 73.82 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.541 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -140.51 144.23 35.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.961 -179.953 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -78.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.723 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.62 97.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.598 179.954 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 15.6 m -125.95 128.91 72.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.588 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 5.7 p -134.57 169.94 12.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.98 39.23 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.88 -51.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 3.8 tp10 -64.63 -42.76 95.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.59 -33.02 74.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 108.281 179.996 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -90.61 2.91 55.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -103.18 -35.54 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.541 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.0 -26.62 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.47 71.89 0.24 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.5 -156.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.1 m -125.98 152.71 45.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.265 -179.996 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.645 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 56.1 t80 -117.61 175.71 5.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.607 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 6.7 t70 -178.31 144.87 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.584 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.8 p -135.34 12.18 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -48.94 79.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.49 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.84 134.33 12.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.98 -36.05 2.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.07 -43.9 1.93 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.15 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 074 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.576 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -89.44 169.98 11.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 074 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 90.07 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.584 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -29.59 -55.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 107.991 -179.968 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.482 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.2 t -91.25 118.92 30.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.295 179.998 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.697 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.3 p90 -141.49 165.91 26.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.532 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.6 mtpt -71.58 165.86 45.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 126.06 9.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.544 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.0 tt -35.4 126.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.479 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.09 45.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.339 179.975 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.21 40.71 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.546 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -82.36 146.32 53.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 075 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 -0.07 9.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.712 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.31 -15.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.533 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.86 7.29 46.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.968 . . . . . . . . 3 3 . 1 . 075 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.546 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 5.6 t0 -135.47 21.81 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.712 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 12.5 mmt85 -74.76 115.69 14.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.3 t -71.26 -11.31 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.509 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 65.9 t0 55.67 109.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.48 -10.13 59.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.4 73.16 0.43 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -139.05 145.35 44.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.45 0.735 . . . . 0.0 111.016 179.929 . . . . . . . . 3 3 . 1 . 075 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -81.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.761 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.702 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.87 97.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.622 -180.0 . . . . . . . . 3 3 . 1 . 075 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.4 m -126.79 132.0 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.607 ' C ' ' CD2' ' A' ' 38' ' ' PHE . 5.3 p -140.89 170.54 9.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.997 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 38.95 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.77 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 179.953 . . . . . . . . 3 3 . 1 . 075 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.11 -41.58 94.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 075 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.02 -32.35 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 108.333 179.965 . . . . . . . . 3 3 . 1 . 075 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.94 2.92 54.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -101.56 -35.56 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.589 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.32 -28.77 69.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 075 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.26 71.72 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.57 -156.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.7 m -124.89 153.59 42.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.632 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 51.3 t80 -121.32 175.28 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 8.9 t70 -177.64 145.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.586 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.6 p -135.43 13.3 3.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -47.13 85.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.495 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.88 134.08 11.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 075 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 -36.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.71 -45.1 1.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 075 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.577 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -87.59 169.61 13.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 075 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.05 89.99 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.586 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -29.7 -56.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 108.005 -179.963 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.486 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 3.7 t -90.33 117.92 29.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.288 179.968 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.4 p90 -140.3 165.99 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.552 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.9 mttt -69.51 164.72 47.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.93 124.74 8.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.1 tt -33.18 137.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 075 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' LEU . 6.6 pt20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.432 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 3.0 m -107.65 44.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.16 42.83 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.551 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -88.69 145.29 34.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.598 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 0.79 8.45 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.633 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 90.81 -25.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.51 11.71 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.531 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.37 17.55 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.1 mmt85 -75.23 112.69 11.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 7.0 t -70.26 -11.05 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.499 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 49.9 t0 58.13 115.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -10.25 59.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 108.348 179.949 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.37 77.56 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -144.9 144.98 25.89 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -80.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.699 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.87 95.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 -179.973 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 23.0 m -126.05 126.04 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.591 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.8 173.36 5.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.992 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 39.21 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.59 -46.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.2 OUTLIER -71.18 -38.36 72.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -73.56 -31.97 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 108.307 -179.981 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -91.67 0.26 57.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 11.9 t30 -100.84 -40.31 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -59.35 -23.48 62.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.72 75.1 0.59 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.27 -154.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -125.05 150.06 47.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.5 t80 -118.59 174.15 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 8.3 t70 -178.63 146.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.592 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.6 p -139.02 14.39 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -63.94 -46.19 85.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.486 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.83 133.97 11.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.05 -36.83 2.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.52 -46.17 2.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 076 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.57 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -86.61 169.42 15.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 076 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.597 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 88.43 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.597 ' C ' ' O ' ' A' ' 46' ' ' PRO . 5.9 m0 -27.49 -57.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.999 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.7 t -90.66 119.3 30.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.29 -179.931 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -141.22 167.56 21.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -70.46 163.7 60.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 124.49 8.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 111.054 179.95 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.522 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.8 tt -34.91 131.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 076 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CG ' ' HB3' ' A' ' 51' ' ' PRO . 1.4 pt20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.09 41.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.349 179.951 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.81 40.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.545 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -81.5 148.28 62.01 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.542 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 3.16 5.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.709 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 86.44 -21.51 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -93.68 9.62 36.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.72 18.44 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.709 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 13.9 mmt85 -73.0 119.14 16.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.03 -14.45 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.51 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 59.02 111.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.27 -14.01 61.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 108.328 179.973 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.45 73.04 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -140.88 144.48 35.7 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -76.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.414 1.744 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.709 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -68.88 97.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.626 179.989 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 15.5 m -125.91 130.55 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.599 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.8 p -138.12 171.4 8.4 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.634 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 40.46 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.74 -54.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.466 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 1.4 tp10 -61.24 -43.78 98.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -64.26 -33.11 75.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 108.274 -179.965 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -92.52 4.86 52.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -104.22 -35.01 8.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -64.49 -29.8 70.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.21 69.6 0.14 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.24 -158.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -179.951 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -124.04 154.12 40.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.312 179.985 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 60.4 t80 -119.05 174.72 6.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.572 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 6.2 t70 -179.22 141.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.591 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.0 p -130.34 13.4 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -55.84 27.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.428 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -140.94 139.14 18.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 -38.15 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.812 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.61 -39.03 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 077 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.525 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -93.82 167.82 13.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 077 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 89.65 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.4 m0 -29.82 -55.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 107.973 -179.973 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.45 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 3.9 t -91.46 119.09 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 -179.985 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.706 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.2 p90 -142.21 167.98 20.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -75.58 164.82 58.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 126.25 9.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.563 1.823 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.507 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.4 tt -32.98 137.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 077 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -110.69 47.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.295 -179.983 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.49 48.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.546 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -86.94 149.42 47.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 078 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.26 -23.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.81 9.38 32.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 078 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.528 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -133.14 17.67 4.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 078 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.694 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.19 117.26 16.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 24.5 t -75.76 -10.53 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.523 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 55.2 t0 58.13 112.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.158 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -18.35 60.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.59 72.45 0.66 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -139.53 144.07 38.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.983 -179.988 . . . . . . . . 3 3 . 1 . 078 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -77.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.733 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -68.87 97.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.596 -179.986 . . . . . . . . 3 3 . 1 . 078 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.525 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 15.9 m -124.14 129.69 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.664 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 9.1 p -135.24 171.93 8.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.936 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.642 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 35.06 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.1 tmmt? -177.84 -48.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.491 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.9 OUTLIER -66.44 -26.89 67.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 078 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.664 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -83.57 -34.12 25.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -179.981 . . . . . . . . 3 3 . 1 . 078 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.621 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 17.3 p30 -90.85 4.31 52.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.7 t-20 -106.02 -37.15 6.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.555 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.99 -27.78 68.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.948 . . . . . . . . 3 3 . 1 . 078 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.93 70.69 0.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.33 -156.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.99 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.446 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -125.85 154.44 42.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.354 179.99 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.4 t80 -119.58 176.38 5.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.585 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 12.2 t70 179.11 142.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.59 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.1 p -131.98 13.03 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -53.25 60.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.498 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.36 136.83 16.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 078 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 -36.47 2.51 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.72 -45.76 2.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 078 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.582 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -88.15 169.64 13.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.362 179.942 . . . . . . . . 3 3 . 1 . 078 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 92.0 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.59 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -31.45 -56.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.493 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 3.3 t -91.35 115.05 27.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.694 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.5 p90 -136.68 166.09 24.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.3 mttt -67.82 163.85 45.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.96 124.73 8.87 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.576 1.83 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.505 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.5 tt -35.01 130.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 078 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 0.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.429 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.2 45.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.273 -180.0 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.85 44.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.547 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -84.19 148.0 52.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 079 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.573 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.01 1.16 8.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.551 1.816 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.676 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.12 -16.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.07 7.26 46.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 079 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.88 19.13 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 079 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.704 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.2 mmt85 -74.59 101.62 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.29 179.963 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 5.8 t -61.55 -18.93 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.549 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 57.24 112.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -83.85 -9.76 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 108.344 179.924 . . . . . . . . 3 3 . 1 . 079 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.91 97.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.637 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -156.78 145.39 14.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 111.018 179.949 . . . . . . . . 3 3 . 1 . 079 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.01 -86.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.418 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.14 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 179.973 . . . . . . . . 3 3 . 1 . 079 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 32.5 m -116.36 116.92 53.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.53 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 p -129.11 169.95 11.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.463 179.948 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.654 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 38.3 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.0 -37.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 079 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.61 -35.18 39.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -75.13 -28.62 60.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.322 179.969 . . . . . . . . 3 3 . 1 . 079 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -96.1 1.95 52.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.363 179.984 . . . . . . . . 3 3 . 1 . 079 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 3.0 t-20 -101.05 -42.16 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.637 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -58.71 -27.13 64.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.995 . . . . . . . . 3 3 . 1 . 079 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 74.77 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER 174.94 -154.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 3 3 . 1 . 079 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.7 m -129.81 147.76 51.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.346 179.993 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.654 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.1 t80 -115.66 175.17 5.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 3.0 t70 -178.03 143.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.583 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -133.87 10.68 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -59.45 -49.57 77.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.482 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.82 134.29 13.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.999 . . . . . . . . 3 3 . 1 . 079 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 -36.88 2.31 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.74 -47.44 2.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.575 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -84.88 169.78 15.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 079 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 89.62 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.583 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -28.8 -56.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.033 179.99 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.0 t -89.96 126.44 35.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 108.274 -179.99 . . . . . . . . 1 1 . 1 . 079 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.4 p90 -149.28 168.15 24.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.527 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 26.2 mtpt -71.85 165.65 47.72 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 129.17 12.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.459 1.768 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 079 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -35.68 137.64 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 079 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.404 HE21 ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.483 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.0 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.36 46.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.317 179.999 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.32 41.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -90.06 153.62 47.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 080 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -59.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 160.74 -23.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 1.62 57.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -119.78 13.22 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 080 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.747 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.7 mmt85 -77.12 103.96 7.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.9 t -63.35 -16.65 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.546 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 54.9 t0 57.98 114.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 1.307 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -79.52 -26.03 41.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 080 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.27 75.66 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -142.21 144.34 31.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 080 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -78.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.802 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.692 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -65.97 96.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.576 -179.987 . . . . . . . . 3 3 . 1 . 080 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.2 m -126.0 125.48 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.657 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 4.3 p -128.0 169.93 11.5 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.442 -179.984 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.647 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 39.26 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -178.5 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.927 . . . . . . . . 3 3 . 1 . 080 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 2.6 tt0 -63.4 -39.06 93.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.657 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.04 -39.1 92.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 108.327 179.979 . . . . . . . . 3 3 . 1 . 080 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -85.67 0.37 52.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 080 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -100.88 -36.33 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.603 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -62.85 -20.5 65.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 080 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 118.36 70.02 0.36 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 1.307 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER 173.38 -153.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.956 . . . . . . . . 3 3 . 1 . 080 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -130.0 153.72 48.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.266 -179.941 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.647 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 57.7 t80 -117.34 174.77 5.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.601 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 2.6 t70 -179.79 142.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.587 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.1 p -136.26 16.82 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -68.4 -32.83 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.481 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.57 126.09 3.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.953 . . . . . . . . 3 3 . 1 . 080 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 -32.41 5.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.44 -25.26 1.96 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 080 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.56 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -106.65 172.64 3.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 080 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.546 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.3 Cg_endo -75.05 89.19 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -32.41 -54.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.459 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.0 t -93.26 115.26 27.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 108.32 179.943 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.747 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.0 p90 -137.68 165.19 26.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 6.1 mttt -63.48 162.7 24.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.02 125.33 9.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 080 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.454 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -37.22 129.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 080 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -112.93 47.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.16 53.61 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.353 179.993 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -97.2 148.74 34.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 081 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.93 1.55 7.57 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.623 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.28 -20.58 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.46 4.09 53.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 081 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -129.07 21.71 5.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 081 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.853 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.8 mmt180 -76.1 131.89 39.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.955 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.4 t -89.86 3.4 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.488 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 43.2 t0 44.4 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -20.67 65.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 179.988 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.22 76.5 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -142.32 143.33 26.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 081 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -79.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.679 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.18 96.89 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 179.976 . . . . . . . . 3 3 . 1 . 081 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.514 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.0 m -125.48 122.76 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.625 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 6.2 p -126.39 170.35 9.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 -179.972 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 37.99 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.35 -51.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 081 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 4.0 tp10 -63.63 -39.65 94.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.334 -179.978 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.28 -39.27 93.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 108.319 179.963 . . . . . . . . 3 3 . 1 . 081 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.419 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 12.2 t30 -86.41 -1.68 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -97.69 -34.84 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.569 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -65.88 -21.04 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 081 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.36 70.52 0.34 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.5 -154.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.974 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.1 m -129.92 151.23 50.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.277 179.991 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.645 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 64.6 t80 -114.41 175.74 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 25.9 t70 175.71 139.15 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.576 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 86.9 p -129.06 17.74 6.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -61.8 -48.71 79.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.79 136.9 13.87 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 081 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -37.99 1.81 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.96 -49.61 2.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 081 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -85.22 169.94 14.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.749 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 081 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.493 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 96.11 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.576 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -35.01 -49.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.447 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.3 t -97.74 104.8 16.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.853 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -123.83 165.73 16.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -68.78 164.06 49.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.497 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.97 121.56 6.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 081 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.489 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -33.67 116.11 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 081 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.983 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' LEU . 2.0 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -108.61 45.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.32 179.943 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.92 47.4 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.593 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -89.97 150.03 42.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 082 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.551 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 2.86 6.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.552 1.817 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.61 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 87.13 -27.44 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 6.11 36.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.02 23.34 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 082 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.784 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -75.51 114.52 14.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 082 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' A' ' 20' ' ' ASP . 40.1 t -67.39 -18.46 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 52.69 106.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.967 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -13.44 59.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.38 98.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.596 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -156.39 144.74 14.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 082 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.0 -85.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.551 1.816 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.405 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.32 84.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 -179.983 . . . . . . . . 3 3 . 1 . 082 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.1 m -113.97 117.25 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.626 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 7.0 p -123.71 170.18 9.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.658 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.01 38.01 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.7 tmtm? -177.45 -50.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 6.5 tt0 -64.45 -39.96 94.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.608 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.03 -34.13 77.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.285 -179.979 . . . . . . . . 3 3 . 1 . 082 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 14.8 t30 -93.3 1.17 57.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 37.8 t30 -99.05 -37.31 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.596 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -64.43 -22.71 67.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.939 . . . . . . . . 3 3 . 1 . 082 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.03 71.19 0.27 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER 174.8 -155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.94 . . . . . . . . 3 3 . 1 . 082 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.4 m -130.45 150.56 51.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 -179.987 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.658 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 50.0 t80 -115.72 175.46 5.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.637 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 5.2 t70 -178.99 142.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 -179.965 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.562 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -134.03 16.63 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -65.06 -43.65 91.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.466 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -147.57 132.71 9.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 082 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -37.8 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.57 -29.54 0.76 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.466 HG23 ' CD1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -100.76 168.9 8.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 082 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 87.77 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.562 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -30.15 -52.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -94.25 121.8 36.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 108.322 179.975 . . . . . . . . 1 1 . 1 . 082 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.784 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -144.24 164.87 29.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.494 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.0 mtpt -70.27 164.4 53.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 125.86 9.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.514 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.37 139.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.4 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.476 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 1.9 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.19 46.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 108.325 179.996 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.57 52.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -92.72 148.94 37.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 083 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.1 0.05 9.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.617 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.81 -26.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.933 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.77 7.4 30.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HB3' HG13 ' A' ' 13' ' ' VAL . 8.7 t0 -133.11 22.19 4.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.145 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.829 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.7 mmt180 -76.48 136.63 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 2.0 t -91.78 3.57 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.481 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 36.2 t0 43.44 93.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -14.26 52.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.56 72.23 0.57 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -136.28 143.64 44.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -90.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.538 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -56.17 93.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.624 -179.998 . . . . . . . . 3 3 . 1 . 083 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.55 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.4 m -125.27 122.46 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.586 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.5 p -133.07 168.55 17.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.93 40.23 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 28' ' ' PRO . 2.8 tmtm? 179.96 -35.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 20.8 tt0 -84.57 -26.67 27.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -83.18 -24.9 32.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 083 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -95.1 0.85 54.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 083 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 37.5 t-20 -105.32 -38.66 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.595 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.23 -29.75 68.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 083 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.16 75.44 0.28 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.79 -159.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.3 m -123.16 149.87 44.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.3 179.998 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.5 t80 -114.49 174.7 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.7 t70 176.45 140.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.576 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.9 p -129.66 17.19 5.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.947 179.985 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -51.51 69.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.486 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.58 137.74 15.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 083 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.93 -38.34 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.431 1.753 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' PRO . . . -37.56 -47.37 1.64 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 -179.931 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.486 HG12 ' CD1' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -87.6 170.02 12.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 083 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 95.21 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 -179.996 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.576 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -34.58 -50.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.965 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.7 t -98.11 101.56 13.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 108.309 -179.991 . . . . . . . . 1 1 . 1 . 083 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.829 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -119.41 165.11 14.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -67.24 163.87 41.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 083 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.476 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 119.25 5.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.529 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -35.15 134.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 083 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.425 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.401 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 5.4 pt20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 2.1 m -112.49 44.63 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.94 44.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.511 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -90.57 143.54 29.29 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 084 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.529 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 5.15 4.15 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.692 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 85.41 -17.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.17 8.25 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 084 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -133.32 18.82 4.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 084 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.706 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.8 mmt85 -75.03 116.95 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 20' ' ' ASP . 18.8 t -77.95 -10.32 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.7 t70 58.95 114.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -8.91 59.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.31 179.989 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.34 79.83 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -146.8 146.0 24.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 -179.999 . . . . . . . . 3 3 . 1 . 084 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -80.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.705 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -64.73 96.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 -179.961 . . . . . . . . 3 3 . 1 . 084 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.5 m -125.86 125.16 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.589 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -140.04 173.49 4.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 -179.958 . . . . . . . . 3 3 . 1 . 084 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 39.37 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.36 -47.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.937 . . . . . . . . 3 3 . 1 . 084 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -70.84 -39.11 73.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 084 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -72.46 -27.4 62.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 108.259 -179.954 . . . . . . . . 3 3 . 1 . 084 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -95.9 4.22 52.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 084 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.7 t30 -101.96 -39.75 7.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.06 -23.15 65.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 084 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.82 73.39 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.127 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER 179.14 -153.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.985 . . . . . . . . 3 3 . 1 . 084 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -126.87 150.0 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.8 t80 -118.06 174.21 6.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.7 t70 178.05 143.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.629 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.4 p -139.93 18.3 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -31.46 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.486 HD12 ' CG1' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -154.76 129.9 5.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.936 . . . . . . . . 3 3 . 1 . 084 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -36.57 2.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.39 -35.65 0.83 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 084 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.536 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -97.83 168.83 9.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 084 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.07 88.77 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.629 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.2 m0 -28.47 -58.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.5 t -89.76 118.93 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 108.289 179.997 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.706 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.5 p90 -140.86 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -71.01 163.78 62.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.03 125.59 9.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.94 . . . . . . . . 2 2 . 1 . 084 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -33.14 118.31 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 084 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.3 38.84 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.351 179.973 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.7 45.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.548 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -89.63 148.1 39.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 085 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 0.81 8.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.618 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 87.89 -25.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.92 6.62 38.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 085 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.489 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 10.3 t0 -133.23 22.75 4.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.832 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 3.2 mmt180 -75.89 131.64 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' ASP . 76.0 t -85.62 -8.95 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.8 t70 53.47 105.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -14.24 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 108.312 179.977 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.92 73.02 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.943 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -138.94 145.48 45.69 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 111.017 179.996 . . . . . . . . 3 3 . 1 . 085 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -79.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.733 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.76 98.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.633 179.955 . . . . . . . . 3 3 . 1 . 085 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 15.5 m -126.11 126.49 69.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.612 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 5.5 p -131.28 170.04 12.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.939 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.652 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.89 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.4 -51.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 085 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 4.4 tt0 -64.05 -41.14 97.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.609 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -63.89 -37.23 86.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 108.304 -179.999 . . . . . . . . 3 3 . 1 . 085 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.434 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 9.9 t30 -87.96 -0.52 57.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -96.74 -35.78 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.567 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -65.79 -24.48 66.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 085 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.3 71.36 0.29 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.0 -157.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.977 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.441 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -125.77 152.13 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 108.274 179.987 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 54.5 t80 -118.09 175.29 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 11.0 t70 178.79 144.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.594 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.4 p -135.59 15.78 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -64.56 -40.47 95.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.444 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.21 130.55 7.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 085 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 -37.99 1.8 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.54 1.811 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.26 -28.45 0.54 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 085 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.444 HG23 ' CD1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -102.3 169.94 6.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 085 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 89.95 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.594 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -33.05 -53.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.489 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.7 t -94.43 110.63 22.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.832 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.7 p90 -131.37 165.62 23.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.508 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.1 mtpt -71.59 164.44 57.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.95 125.31 9.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.515 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.3 tt -35.25 137.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 085 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' N ' HD22 ' A' ' 52' ' ' LEU . 1.1 mp0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 52.45 -179.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -84.2 -173.97 5.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.6 p -175.78 120.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.1 101.23 2.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -122.34 30.52 6.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER 172.04 -174.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . -40.62 -90.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.41 ' N ' ' HB2' ' A' ' 12' ' ' ALA . 44.1 m-20 41.5 -93.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.9 mt-30 -50.89 -41.3 58.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.38 41.25 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HB2' ' N ' ' A' ' 9' ' ' ASN . . . -99.95 42.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -95.7 152.13 38.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.553 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 160.19 -24.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.67 7.11 44.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.535 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -124.25 11.13 8.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.717 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.0 mmt85 -77.01 116.91 18.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 43.8 t -81.63 -8.9 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.436 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 6.0 t0 58.75 115.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.93 -20.92 29.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 66.62 93.41 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.591 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.1 m-85 -140.21 148.97 56.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -75.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.633 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.98 84.88 6.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.591 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.8 m -95.99 136.37 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.564 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.0 p -151.61 171.46 6.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.92 39.54 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.53 -45.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.574 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.6 tt0 -72.62 -38.26 67.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.45 -27.79 60.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.267 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.453 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.5 m120 -93.45 -0.84 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 20.8 t30 -101.61 -41.58 6.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.418 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.18 -29.01 60.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 74.99 0.31 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.84 -159.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.23 152.87 37.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 108.323 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 27' ' ' THR . 82.0 t80 -117.74 173.39 6.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.9 t70 178.95 142.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.593 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.7 p -135.35 17.74 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -60.22 -42.85 96.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.447 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -150.64 133.87 8.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.07 -30.57 6.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.93 -28.98 4.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.544 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -105.53 171.32 4.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 88.86 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.593 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -30.36 -55.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.987 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -92.45 113.94 26.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 108.315 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.717 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -135.28 164.87 26.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -65.74 161.56 52.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.99 124.21 8.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -35.09 133.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -61.55 80.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.3 pt-20 -47.96 117.4 1.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.64 74.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 109.255 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.32 125.81 28.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.4 p -132.71 114.16 13.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 108.306 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.9 t -112.39 -37.01 5.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.4 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -115.09 109.2 17.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 13.6 p90 -120.61 132.73 55.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 m -117.67 114.77 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.69 16.67 1.61 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 7' ' ' SER . 0.8 OUTLIER -96.24 92.32 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' ASN . 9.0 p 59.89 149.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 67.31 -73.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' SER . 35.6 m-80 -49.17 -25.92 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.3 pt20 -89.85 -37.88 14.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.49 43.13 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.265 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -100.81 40.53 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.541 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -93.68 152.42 40.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.529 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 -58.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 160.76 -24.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.4 4.51 53.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.541 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -121.7 11.17 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.714 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.6 mmt85 -76.47 116.09 16.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -81.61 -10.49 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.5 t0 59.09 117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -23.81 30.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.25 91.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.6 m-85 -139.26 147.81 54.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -71.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.631 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -91.4 84.99 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.629 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.3 m -96.37 135.33 30.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.523 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.2 p -148.88 169.75 8.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.6 Cg_endo -74.99 38.75 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.053 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.07 -40.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.1 tp10 -76.69 -40.61 48.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -69.74 -35.22 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.287 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -85.85 -3.09 58.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.7 t30 -100.61 -40.04 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.502 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -56.99 -26.32 59.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.7 73.07 0.33 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.99 -158.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.82 151.71 39.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.9 t80 -116.32 173.92 6.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 30.5 t70 178.21 142.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.603 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.2 p -135.85 15.5 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -59.14 -39.4 82.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.439 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.33 131.81 6.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.96 -31.74 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.9 -29.07 3.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.554 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -105.57 171.73 4.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 90.26 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.603 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -31.72 -55.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -92.44 113.4 25.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.303 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.714 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -134.37 164.22 27.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.8 mtpt -63.8 162.21 30.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.475 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.04 124.25 8.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -37.12 132.0 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.29 72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -46.8 111.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 57' ' ' CYS . . . -138.62 121.75 16.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.93 -67.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 55' ' ' ALA . 7.1 t -147.66 -63.74 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 t -141.29 -46.3 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.351 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.24 49.83 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.589 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -170.59 112.54 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 p 179.29 102.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . 147.63 -98.54 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' GLY . 2.2 pp -39.58 148.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 2.3 p -89.87 135.43 33.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 166.96 -72.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -53.94 -38.05 64.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -78.38 -33.56 48.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 41.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -100.13 38.21 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.544 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -92.32 151.67 41.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.535 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.99 -57.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.551 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 160.35 -23.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.12 5.55 51.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.3 m-20 -123.0 11.03 9.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.709 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.9 mmt85 -76.34 116.48 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 87.7 t -82.26 -9.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 2.2 t70 58.95 116.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.61 -23.42 29.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.13 91.88 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.597 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.3 m-85 -138.95 148.84 59.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -76.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.63 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.8 83.42 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.3 m -94.15 136.51 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.565 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -152.26 169.87 8.87 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.588 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.92 39.06 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' HA ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.83 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.496 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.7 tt0 -78.88 -37.26 40.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.96 -28.8 60.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.659 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.9 p30 -94.21 3.25 55.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.0 t-20 -104.56 -42.14 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -30.09 62.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.83 75.21 0.26 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.37 -159.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -120.37 152.37 37.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.288 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.588 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.2 t80 -118.14 173.21 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.9 t70 179.83 145.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.8 p -140.13 16.4 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -33.94 76.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.49 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.23 129.48 4.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.01 -33.07 4.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.73 -28.1 1.56 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -106.12 172.02 4.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.55 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.03 89.4 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.7 m0 -31.1 -55.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.59 112.16 24.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 108.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.709 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -133.24 163.98 28.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -64.37 161.92 38.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 123.32 7.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -37.34 138.05 0.34 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -60.08 80.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -55.2 97.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.34 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 56' ' ' GLU . . . -118.29 -169.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ALA . 3.3 mp0 -38.01 126.18 1.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 110.352 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.7 m -58.71 156.14 11.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.8 m -146.49 -56.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -177.27 -45.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.3 t80 52.65 97.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -166.06 51.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.17 106.4 1.01 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 pp -110.6 -28.91 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.7 p -110.33 -156.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -99.14 29.61 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.77 -56.13 20.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -63.69 -29.23 70.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -113.93 47.02 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.279 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -116.75 51.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.528 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.98 150.37 40.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 1.4 7.79 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.576 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.35 -27.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 9.94 21.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -133.91 20.01 3.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.826 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.6 mmt180 -75.87 136.36 40.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 13.3 t -95.88 -3.98 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.3 t70 50.94 102.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.5 -22.67 60.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.67 93.8 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -139.67 149.11 58.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.97 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -77.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.646 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.43 83.53 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.587 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.5 m -93.78 135.25 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.561 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -151.02 170.68 7.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.02 39.08 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.12 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.59 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -76.26 -39.54 54.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.64 -30.78 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -92.29 1.09 57.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.0 t-20 -101.92 -41.07 6.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -30.34 66.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.31 75.57 0.25 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.0 -159.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.5 m -120.62 151.23 39.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 108.255 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.0 t80 -117.17 173.33 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.3 t70 -179.5 145.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.583 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.7 p -135.63 14.3 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -48.22 80.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.492 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.81 136.15 12.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.03 -37.39 2.03 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.63 -46.38 2.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.492 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -88.1 170.87 10.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 92.56 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.583 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.82 -52.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.988 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.85 112.55 24.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.826 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.7 p90 -132.55 162.87 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -65.95 163.84 33.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.491 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -75.02 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.2 tt -33.83 134.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -63.96 75.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -45.51 119.76 2.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.97 165.3 36.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -151.93 114.43 4.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.17 -63.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -169.03 128.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 61.9 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 3' ' ' TYR . 19.4 mt-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 61.18 -81.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 1' ' ' GLU . 63.3 t80 56.65 161.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.5 p -174.8 129.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -81.82 14.67 30.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -36.71 101.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 5' ' ' GLY . 25.0 p 59.78 155.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.033 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 75.83 -81.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -44.61 -41.2 6.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -74.09 -34.87 64.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -110.61 45.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -101.83 40.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -94.01 152.34 40.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.05 -57.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 158.78 -22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.34 2.85 56.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.534 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -119.8 11.38 11.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.734 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.1 mmt85 -77.07 117.55 18.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' ASP . 49.0 t -83.56 -9.18 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.4 t0 59.88 117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.68 -20.88 28.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.11 92.89 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 m-85 -139.83 148.36 55.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -75.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.631 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -88.46 84.35 6.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.5 m -95.77 137.92 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.584 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -152.56 172.08 5.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.95 40.24 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.54 -49.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.528 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 5.1 tt0 -66.88 -43.86 82.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -65.0 -34.04 77.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 10.5 t30 -90.35 -1.61 57.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 34.9 t-20 -95.52 -39.45 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -27.41 68.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.87 73.72 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.64 -158.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.505 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -121.19 152.18 39.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 108.339 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.8 t80 -117.85 173.44 6.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.6 t70 -179.11 144.05 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.584 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.4 p -136.26 14.63 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.041 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -58.69 -41.94 87.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.431 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.0 135.59 9.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.406 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -36.49 2.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.57 -39.74 1.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.534 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -95.24 171.16 6.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 91.28 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.584 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -31.66 -55.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 108.047 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.9 113.6 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.734 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -133.88 163.41 29.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -61.75 162.49 16.11 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.0 121.22 6.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -37.23 134.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.02 75.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -52.29 103.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -132.12 124.72 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 57' ' ' CYS . 0.9 OUTLIER 41.06 -165.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.52 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 69.4 m 63.86 140.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 108.25 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.3 p -140.37 -52.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.51 61.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -167.75 127.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.452 ' CG2' ' OG ' ' A' ' 7' ' ' SER . 11.9 p -174.75 94.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.82 1.81 19.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.16 47.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 4.5 p 177.76 117.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . 83.72 -72.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -53.69 -33.63 56.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.422 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.3 tt0 -82.23 -33.05 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.18 46.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -116.27 54.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.553 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.63 151.7 42.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.553 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 1.68 7.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.58 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 87.09 -27.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.78 6.3 35.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -129.99 20.35 5.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.5 mmt180 -76.06 140.24 41.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.462 ' O ' ' O ' ' A' ' 20' ' ' ASP . 54.5 t -99.9 -1.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 19' ' ' VAL . 7.6 t0 48.18 99.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.85 -22.35 61.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.0 93.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.9 m-85 -139.21 148.8 58.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -76.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.639 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.96 84.55 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 0.0 109.569 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.583 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.4 m -95.32 134.45 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.541 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -150.01 171.38 6.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 38.86 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.508 ' N ' HD21 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.23 -42.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.574 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.2 tt0 -75.04 -37.97 61.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.4 -27.34 60.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.272 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.508 HD21 ' N ' ' A' ' 29' ' ' LYS . 1.3 m-80 -94.8 0.12 54.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 15.5 t30 -101.03 -41.44 6.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -29.16 64.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.53 76.2 0.36 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.53 -158.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.4 m -121.41 151.53 40.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.5 t80 -117.5 173.49 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.2 t70 -180.0 144.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.579 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 85.4 p -133.76 14.63 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.071 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -51.35 69.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.54 135.71 14.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.364 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 -37.02 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.47 -44.01 2.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -90.35 171.75 8.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.06 93.38 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.579 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.3 m0 -33.66 -53.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.42 111.11 22.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 108.33 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -130.88 162.19 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.4 mtpt -66.4 166.62 16.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.573 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.03 122.48 7.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.2 tt -33.74 144.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.492 ' N ' HE21 ' A' ' 53' ' ' GLN . 0.0 OUTLIER -58.77 83.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 8.4 pt-20 -45.14 116.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.63 -67.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.26 121.05 1.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 25.8 p -79.32 164.09 24.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 108.32 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.4 m -49.79 161.04 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 110.433 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.36 -47.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.2 t80 59.21 -178.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.458 HG21 ' CD1' ' A' ' 6' ' ' LEU . 1.4 p -135.88 -166.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 174.01 -32.93 0.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' CD1' HG21 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -70.01 155.07 41.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.2 p -66.79 114.03 5.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.003 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 178.17 -92.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -46.9 -49.97 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -68.14 -29.54 68.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -110.62 44.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 108.307 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -115.29 54.58 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.539 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -94.2 151.29 39.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.539 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 2.94 6.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.599 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 85.57 -25.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 5.51 44.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -129.81 20.78 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -76.22 135.97 39.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' ASP . 93.4 t -95.41 -3.12 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.6 t0 49.74 99.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -22.58 62.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.48 92.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -138.35 149.06 61.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.641 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.49 84.32 7.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.587 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.0 m -94.79 134.89 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.566 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -149.98 171.21 6.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 39.41 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.43 -44.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.562 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.4 tt0 -72.91 -40.51 65.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.84 -30.68 67.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 108.239 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -92.79 1.98 56.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.5 t-20 -102.5 -40.29 6.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.53 -28.49 67.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.32 75.54 0.31 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.43 -159.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 m -121.47 150.92 40.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -116.02 173.1 6.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 29.0 t70 179.12 144.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.586 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.2 p -133.77 15.92 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -50.52 72.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.42 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -144.56 136.16 12.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.99 -38.73 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.84 -31.99 0.49 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -101.47 170.41 6.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 91.6 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.586 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -33.47 -52.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.02 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.17 112.26 24.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 108.295 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -132.65 161.43 33.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.507 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.0 mtpt -64.92 163.72 27.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 116.93 4.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.538 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.1 tt -33.09 131.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -63.24 77.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.4 pt-20 -48.17 117.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -156.7 100.46 1.93 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 57.1 89.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.8 t -158.29 -65.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.338 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -47.34 -42.14 20.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.0 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 176.33 74.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -138.48 121.76 17.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.7 p -175.26 65.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -127.9 113.35 1.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.14 46.55 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 10.9 p 174.6 122.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 84.38 -67.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -53.82 -37.49 63.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -77.74 -37.51 49.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 41.75 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -100.12 40.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.52 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -93.06 152.45 41.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.02 -59.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.538 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 161.72 -23.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.95 4.49 53.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.52 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -121.66 11.12 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.0 mmt85 -77.18 118.67 19.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -85.22 -8.36 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.8 t70 58.75 118.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -26.06 26.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.248 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.8 90.14 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.586 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.5 m-85 -139.26 147.46 53.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -74.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.616 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.32 82.76 7.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.57 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.586 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.7 m -94.64 138.46 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.541 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -151.57 170.93 7.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 39.97 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 27' ' ' THR . 10.8 tptm -178.32 -47.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.587 ' OE2' ' CE1' ' A' ' 25' ' ' HIS . 2.2 tp10 -68.9 -43.39 75.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -65.97 -37.52 86.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 108.341 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -83.55 -8.33 59.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 12.2 t-20 -93.76 -41.22 9.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.532 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.15 -22.45 28.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.47 72.01 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.01 -156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.495 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -122.93 151.67 41.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.6 t80 -117.31 173.87 6.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.566 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 33.2 t70 -179.58 142.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.591 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.6 p -136.11 16.33 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -37.89 88.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.431 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -153.42 132.31 6.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -34.19 3.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.87 -40.67 2.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.536 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -95.1 172.89 4.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 93.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.79 -54.24 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 107.983 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -93.8 112.24 24.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 108.349 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.3 p90 -132.65 164.58 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -63.27 162.36 25.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.97 121.44 6.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -35.25 126.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.87 68.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 1.3 pm0 -43.92 118.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.56 38.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.87 175.21 10.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.5 m -79.91 -55.51 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 108.269 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.1 m 56.33 80.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 179.99 102.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.7 t80 177.57 103.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.3 p -175.88 48.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.86 58.13 13.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -92.91 26.59 2.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.7 p -177.28 -169.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -94.51 29.66 2.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -54.23 -55.66 25.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.55 -29.0 70.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -113.84 46.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -116.94 52.51 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.517 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.3 150.39 38.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.535 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 3.12 5.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.789 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.611 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 85.83 -22.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.52 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -90.63 5.3 48.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.495 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.41 21.54 5.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.824 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.2 mmt180 -76.05 136.35 39.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 20' ' ' ASP . 12.5 t -96.4 0.07 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.4 t70 46.12 97.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -23.79 64.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 108.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.23 93.77 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.8 m-85 -139.29 148.51 57.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.642 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.11 84.72 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.621 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.578 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -95.72 137.11 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.585 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -151.23 172.15 5.69 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.592 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 40.22 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.1 tttt -178.84 -49.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.581 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.3 tt0 -66.55 -44.26 82.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.59 -34.94 79.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.274 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 12.7 t30 -89.31 -1.42 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.5 t30 -96.15 -38.59 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.72 -27.02 68.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.99 74.57 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.27 -158.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.2 m -122.02 151.06 41.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.287 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.4 t80 -115.95 173.14 6.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 30.6 t70 179.55 144.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.588 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.7 p -133.39 16.3 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.66 -51.87 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.423 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -142.86 135.04 13.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -37.64 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.05 -30.37 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.41 HG12 ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -103.04 171.06 5.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 92.08 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.588 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -34.31 -52.94 0.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 107.969 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.7 t -93.9 111.59 23.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 108.336 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.824 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.9 p90 -131.87 161.8 32.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -64.44 163.22 27.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.495 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 116.41 4.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.532 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -33.27 133.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.31 75.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -52.47 98.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -149.73 -69.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.74 -173.42 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.5 m -56.58 146.9 23.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 46.4 p -56.17 -58.2 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 61.7 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -95.17 -179.08 4.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.504 ' CG ' ' HB3' ' A' ' 6' ' ' LEU . 24.4 t80 -107.16 -46.79 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t 73.75 59.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.24 -23.28 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.504 ' HB3' ' CG ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -75.16 148.48 39.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.42 ' N ' HD13 ' A' ' 6' ' ' LEU . 2.4 p 54.35 -174.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -91.6 26.35 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -46.0 -43.52 14.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.3 mp0 -75.53 -29.86 59.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -111.06 43.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -114.29 53.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.513 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.68 149.85 36.63 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.99 2.93 6.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.616 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 86.22 -20.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.521 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.45 5.3 49.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.89 21.62 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.831 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.9 mmt180 -75.33 137.17 40.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 20' ' ' ASP . 20.7 t -96.93 -4.03 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER 49.4 99.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -23.89 61.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.86 93.52 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -138.76 148.62 59.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -77.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.642 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -86.28 82.32 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.58 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.0 m -92.44 136.06 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.9 p -151.06 170.2 8.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.95 39.51 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.79 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -76.02 -40.01 54.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.14 -29.25 63.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.28 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -94.23 2.24 55.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.3 t30 -103.1 -42.37 5.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -28.25 59.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.93 75.22 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.77 -159.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 m -121.05 152.09 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 108.349 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.4 t80 -117.39 173.28 6.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.553 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.0 t70 179.53 145.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.593 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.0 p -136.56 16.32 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -46.76 87.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -146.09 133.48 10.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 -37.81 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.88 -29.13 0.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.26 170.98 5.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 91.56 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.593 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.0 m0 -33.76 -53.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.017 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -93.13 113.32 25.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.262 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.831 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.9 p90 -134.08 162.42 32.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -66.06 163.54 36.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 118.51 5.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.496 ' C ' ' O ' ' A' ' 51' ' ' PRO . 3.3 tt -33.11 137.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.99 86.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -65.64 87.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.06 134.87 50.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -151.78 115.46 4.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 t 56.26 97.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.339 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 t -143.35 -47.74 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.382 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.9 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -143.61 -67.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -168.74 173.07 7.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.7 p -175.4 103.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.82 104.25 2.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.97 76.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.3 p -177.65 -93.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -137.93 12.91 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -56.86 -48.33 78.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -67.62 -37.42 82.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.255 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 45.52 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -103.69 44.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.526 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -99.45 155.76 36.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.96 -58.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.588 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 160.46 -25.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -4.62 57.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -113.56 14.65 19.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.788 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 4.8 mmt180 -77.03 103.03 6.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 20' ' ' ASP . 40.4 t -64.83 -14.68 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.6 t70 59.46 117.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -22.01 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 108.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.86 90.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.597 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 10.2 m-85 -135.31 149.07 68.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -73.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.46 1.769 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.634 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.63 84.82 6.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.613 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 22.3 m -96.31 139.32 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.581 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.4 p -153.16 172.06 6.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 40.48 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.446 1.761 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -178.86 -50.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.2 tt0 -65.6 -45.03 84.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -63.2 -35.51 80.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 108.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 9.3 t30 -88.96 -1.7 58.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.6 t30 -96.0 -37.94 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.06 -28.24 69.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.31 73.98 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 172.25 -159.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -120.57 151.67 39.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 108.289 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.7 t80 -115.98 172.81 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 33.4 t70 -179.53 141.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.59 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.3 p -134.87 17.14 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -41.9 96.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -149.59 132.91 8.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 -36.83 2.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.93 -27.69 1.06 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.474 1.108 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.417 ' CG2' ' CD1' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -104.58 170.65 5.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 0.737 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 89.82 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.59 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -32.27 -53.95 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 108.01 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.63 114.9 26.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.788 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.6 p90 -134.8 164.95 26.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.489 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.3 mtpt -64.79 162.87 32.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.489 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.05 125.68 9.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.441 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -37.29 137.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.14 74.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -45.61 115.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.0 179.19 7.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -66.35 -178.35 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.5 m 74.74 116.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 108.272 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.0 t -57.95 161.9 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.72 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.331 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -137.41 155.9 48.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 m -145.51 -170.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -168.05 -94.72 0.1 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.7 OUTLIER 34.4 87.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.747 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.47 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 1.6 p 161.69 -27.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 173.86 -33.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -55.88 -50.6 70.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -69.0 -36.55 77.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.63 44.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -100.09 38.85 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.549 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -93.84 151.57 39.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 -59.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 162.14 -23.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 3.47 55.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.549 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -120.63 11.27 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.741 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.8 mmt85 -77.23 119.62 21.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.4 t -85.83 -9.18 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER 59.74 116.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.47 -22.67 28.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 108.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.15 92.41 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.9 m-85 -139.71 149.06 58.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.479 0.752 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -76.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.817 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.637 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.79 83.85 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.572 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.8 m -94.7 136.66 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.577 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -151.51 171.48 6.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 39.8 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.789 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.88 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.583 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.7 tt0 -70.77 -41.12 72.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -69.77 -32.82 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.263 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.458 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -90.17 -2.03 58.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.8 t-20 -98.18 -41.44 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.366 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -29.53 64.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.93 75.08 0.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.48 -159.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -120.19 152.18 38.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.1 t80 -117.9 173.37 6.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.558 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 31.7 t70 -179.85 144.41 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.602 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.2 p -138.62 14.55 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.954 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -60.94 -35.05 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.431 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.36 132.56 6.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -35.95 2.88 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.537 1.809 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.37 -42.5 1.83 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.533 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -93.07 172.23 6.32 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 93.02 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.602 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.8 m0 -32.8 -54.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.013 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.71 114.34 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.741 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.7 p90 -134.52 163.51 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.1 mttt -61.78 162.08 18.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.03 120.66 6.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -37.12 139.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -57.35 84.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -59.7 91.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.241 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.84 89.09 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -32.44 37.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 99.2 m 59.5 178.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.3 t -43.54 -49.39 7.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.289 -0.264 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.09 148.24 27.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -82.53 -175.47 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 t 65.98 92.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.237 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -82.45 5.01 75.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 38.03 90.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 9' ' ' ASN . 18.1 p 52.7 -174.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.948 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 66.97 -74.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -52.34 -66.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -37.39 60.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 39.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 9' ' ' ASN . . . -98.72 41.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.514 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -92.69 153.15 42.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 -59.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 160.92 -23.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.98 1.1 57.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -117.73 11.33 13.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.736 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.4 mmt85 -77.21 117.31 18.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 t -83.62 -9.57 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 60.08 119.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.78 -26.28 27.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.98 88.79 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.2 m-85 -139.3 146.83 50.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -69.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.6 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -90.61 83.73 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.596 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.3 m -97.15 135.92 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.588 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -149.93 171.99 5.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 40.25 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.57 -49.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.557 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.8 tt0 -67.29 -43.08 82.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -64.75 -39.47 93.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -82.26 -7.36 59.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 44.8 t-20 -93.22 -38.35 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.599 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -60.59 -22.73 64.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.98 72.94 0.51 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.35 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.7 m -123.12 150.74 42.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.246 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.3 t80 -115.31 173.62 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 35.4 t70 178.43 141.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.581 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.2 p -135.55 17.95 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -37.77 83.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.482 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -155.89 135.63 8.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.0 -36.84 2.31 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.6 -34.03 0.66 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.534 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -101.23 170.48 6.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 91.83 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.581 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.1 m0 -32.77 -53.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.43 111.97 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 108.268 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.736 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -132.25 164.85 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -64.36 163.22 27.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 120.57 6.13 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.522 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.8 tt -34.37 123.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.689 ' NE2' ' H ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -67.9 61.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.252 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.511 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -37.61 124.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -169.92 -66.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.34 93.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.83 -63.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 m -69.57 120.77 15.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -99.95 140.05 34.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.88 169.59 4.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.458 ' CG1' ' CD2' ' A' ' 6' ' ' LEU . 4.5 t -147.57 114.36 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.92 101.86 0.7 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' CD2' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -111.84 -16.91 13.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.2 p -161.42 162.93 30.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 74.07 -82.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -49.22 -42.61 40.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 6.6 tt0 -73.33 -31.38 63.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.06 46.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -116.2 54.57 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.551 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.16 151.66 43.27 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.551 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 2.09 7.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.447 1.762 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 86.48 -26.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.47 6.69 36.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.497 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -130.45 20.3 5.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.9 OUTLIER -76.5 136.29 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' ASP . 77.9 t -96.3 -2.11 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.0 t0 48.63 99.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.77 -23.56 61.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.2 93.89 0.04 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.095 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.5 m-85 -139.55 148.69 57.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -75.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.643 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.66 84.61 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.619 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.5 m -95.42 134.93 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.574 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -150.6 171.41 6.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 38.65 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.9 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.586 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.6 tt0 -74.4 -37.88 63.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.262 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.02 -27.14 59.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.263 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.455 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.2 m120 -94.54 0.42 55.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.6 t30 -101.61 -42.27 6.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -29.67 62.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.91 76.19 0.34 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.48 -158.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -121.5 151.35 40.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 27' ' ' THR . 81.1 t80 -117.18 173.41 6.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 -179.89 145.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.587 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 78.2 p -134.67 14.11 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.965 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -53.21 60.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.482 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.69 135.81 15.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 -37.83 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.45 -42.5 1.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -91.31 171.24 8.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.97 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.43 -53.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -93.95 111.02 22.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 108.299 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -130.88 162.45 29.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.57 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.3 mtpt -65.41 166.57 13.41 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 122.28 7.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 54' ' ' GLU . 1.7 tt -35.59 128.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.504 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -66.95 59.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.52 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 5.4 pt-20 -38.46 117.29 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -155.96 98.92 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 70.11 -60.24 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.54 -60.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.291 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 t -172.41 -45.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.4 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.0 98.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -148.08 139.17 23.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.7 p -166.35 81.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -125.42 -2.44 7.55 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -113.81 158.91 20.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 0.749 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 25.2 p 60.7 102.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 83.22 -66.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.403 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 16.0 m-80 -47.55 -68.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.491 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 6.2 pt20 -46.13 -41.85 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.491 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -103.32 43.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 108.293 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -99.83 38.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -92.15 150.76 40.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.99 -55.99 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 157.97 -21.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 2.52 55.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.1 m-20 -120.07 11.7 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.71 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.2 mmt85 -76.35 117.49 18.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -81.78 -9.37 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.493 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 51.6 t0 58.46 115.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -84.89 -24.31 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 108.247 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.87 91.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.3 m-85 -137.37 148.62 62.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.612 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -90.8 85.44 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.57 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.599 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.7 m -96.63 138.71 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.576 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.4 p -152.74 170.38 8.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 40.07 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.29 -44.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.602 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.3 tt0 -72.47 -41.83 65.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.536 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -68.1 -37.08 80.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.298 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.442 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -83.53 -5.29 59.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 22.1 t-20 -98.02 -39.51 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -57.71 -25.85 60.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.12 72.91 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.19 -157.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -121.5 151.11 40.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 108.311 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.9 t80 -116.41 173.66 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.3 t70 178.58 142.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.584 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.8 p -135.14 15.81 3.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -60.18 -41.65 93.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.45 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.66 133.94 8.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -34.97 3.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.429 1.752 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.56 -33.61 1.0 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.51 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -101.22 171.05 5.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.372 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 90.39 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.584 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.0 m0 -31.43 -56.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -92.23 109.68 21.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.71 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.2 p90 -130.11 165.7 21.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.8 mtpt -66.48 163.72 38.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 126.19 9.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.458 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -36.23 132.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -64.74 75.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 8.0 pt-20 -44.41 118.0 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -161.34 -69.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -46.56 -54.65 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 110.32 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.03 171.81 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.5 p -95.83 175.52 6.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.8 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -169.56 -57.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -96.46 94.26 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.39 47.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 127.66 -67.15 0.55 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.43 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -42.04 160.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 p 73.64 -178.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -106.18 12.32 30.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -44.36 -35.74 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.478 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.1 tt0 -81.0 -34.43 32.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.1 m -113.69 46.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 108.321 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -116.07 55.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.556 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.05 152.06 42.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.556 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 3.28 5.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.593 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 84.55 -26.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.2 4.52 45.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -128.36 20.9 6.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.804 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -76.3 138.44 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' A' ' 20' ' ' ASP . 55.1 t -98.15 -0.17 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 19' ' ' VAL . 5.6 t70 46.09 97.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -23.66 63.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.84 94.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.4 m-85 -140.3 148.56 54.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -77.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.602 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -87.7 85.74 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.526 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.3 m -96.87 136.0 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.577 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -150.55 171.64 6.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 39.33 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.58 -44.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.602 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -72.52 -39.1 67.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -72.53 -33.07 66.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 108.311 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -85.34 -6.41 59.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 16.2 t-20 -99.1 -40.26 8.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.54 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 3.4 tpt180 -55.1 -26.0 35.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 118.65 72.62 0.41 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.91 -158.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.9 m -120.2 151.43 39.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -116.03 173.32 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.2 t70 179.62 142.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.59 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.9 p -131.54 14.4 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -54.05 49.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.238 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.463 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -140.85 136.27 16.13 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.59 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.64 -40.57 2.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -92.86 171.2 7.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 93.2 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.59 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -34.27 -52.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 108.023 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.41 111.64 23.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.804 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -131.6 161.26 33.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.548 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.5 mtpt -64.64 165.88 13.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.93 121.59 6.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.4 tt -33.8 135.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.03 74.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -42.75 127.9 4.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.37 -66.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -122.95 170.18 10.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 73.65 -60.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.316 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.0 p -40.27 -60.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 179.56 -63.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -113.12 87.81 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.69 110.03 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.52 105.0 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.46 -56.98 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 80.4 p -149.16 143.94 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.036 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 84.16 -71.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -49.48 -33.23 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.1 pt20 -81.06 -37.88 28.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.9 43.88 1.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 108.27 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -101.01 39.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -92.04 153.59 43.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 -59.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 161.21 -24.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 0.59 57.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.538 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -118.25 12.82 13.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.746 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.8 mmt85 -76.2 112.22 12.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -73.43 -13.04 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER 60.05 118.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.01 -13.68 55.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.45 79.0 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.656 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -144.85 147.74 36.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.97 -87.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.426 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -58.04 84.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.65 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.561 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.3 m -113.46 119.55 61.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.549 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -137.83 171.9 7.65 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 37.87 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.8 tmtt? -174.74 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.93 -38.1 46.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -74.3 -26.89 60.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 108.325 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -96.43 2.54 52.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 6.7 t30 -100.23 -43.84 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.656 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.96 -34.06 65.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.46 71.64 0.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.76 -157.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.5 m -122.66 149.16 44.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.6 t80 -116.87 173.81 6.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.3 t70 179.89 143.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.595 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.2 p -136.28 14.43 3.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -58.88 -43.69 90.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.55 134.04 9.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 -33.15 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.49 -31.34 2.4 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.51 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -101.76 170.77 6.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 87.72 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.595 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -29.41 -56.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.038 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -92.46 114.39 26.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.281 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.746 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -135.5 164.35 28.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.3 mttt -63.97 161.96 34.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.5 Cg_endo -74.97 125.3 9.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.465 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -35.82 134.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.416 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -65.16 74.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 1.1 pp20? -44.24 120.31 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.92 162.42 39.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.73 150.69 46.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.4 t 76.05 -67.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.274 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.2 p -39.59 -32.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.41 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 176.79 179.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -137.35 163.84 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.8 p -164.79 105.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.1 100.47 0.18 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.544 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -119.99 -41.79 2.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.326 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 2.2 p 177.74 85.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 166.31 -76.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -52.43 -53.31 46.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -63.73 -28.57 69.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.85 46.16 1.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.71 46.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.537 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -85.68 149.09 50.51 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.575 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.98 1.33 7.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.451 1.763 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.6 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.08 -24.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.97 13.63 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.537 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -136.73 16.25 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.683 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.1 mmt85 -76.02 118.31 18.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' ASP . 97.2 t -81.74 -9.09 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.438 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 59.01 116.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -19.8 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 108.338 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.51 92.45 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.4 m-85 -139.48 148.3 55.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 111.025 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -76.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.645 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.44 83.47 7.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.599 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.1 m -94.2 134.98 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.553 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -150.57 170.83 7.15 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.0 39.12 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 7.0 tmtm? -177.23 -41.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.508 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.7 tt0 -76.14 -39.04 55.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -73.22 -29.47 62.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 108.308 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -94.13 2.55 55.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.6 t30 -103.36 -40.59 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -31.21 67.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.79 75.16 0.21 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.87 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -120.16 152.84 37.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.5 t80 -119.2 173.5 6.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.077 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.5 t70 -179.03 144.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.6 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.8 p -134.63 13.84 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -49.64 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.63 136.94 13.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 -37.21 2.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.77 -44.26 1.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.584 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -91.18 169.47 11.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 90.85 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.6 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.2 -56.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.038 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 t -90.0 119.78 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.683 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -142.49 164.35 30.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.7 mttt -67.84 163.59 48.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 123.13 7.66 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.445 1.761 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 51' ' ' PRO . 2.3 tt -32.44 138.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.25 73.66 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.7 pt-20 -43.61 120.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.72 104.2 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -64.71 147.7 52.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.7 t -173.02 66.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 108.305 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.8 t -109.51 140.39 43.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -160.49 118.17 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' GLU . 7.3 t80 -37.73 136.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.507 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 0.9 OUTLIER -173.2 95.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.88 100.19 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.585 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -74.99 -85.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 6' ' ' LEU . 1.1 p 36.54 -100.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -154.41 20.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -60.73 -60.28 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -25.01 67.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.06 48.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -111.23 43.87 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.52 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -85.4 147.37 46.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.584 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.94 0.86 8.36 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.623 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 90.07 -20.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.18 11.36 28.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.52 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.94 16.67 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.666 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.2 mmt85 -75.78 115.41 15.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.8 t -80.76 -8.6 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.3 t70 58.9 117.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.86 -18.27 38.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.38 92.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 11.7 m-85 -140.9 146.4 43.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -75.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.641 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.52 84.34 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.651 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.1 m -96.21 134.88 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.569 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.8 p -150.38 171.67 6.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.537 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 39.43 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.44 1.758 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.29 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 7.4 tt0 -73.87 -37.54 64.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.548 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.2 -27.6 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.3 m120 -93.84 -0.92 55.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 7.5 t-20 -100.68 -43.29 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.55 -31.83 57.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.05 75.47 0.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.22 -159.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.92 153.07 36.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 108.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 27' ' ' THR . 80.4 t80 -118.06 173.35 6.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.6 t70 -179.11 142.18 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.423 1.077 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.597 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.3 p -133.23 15.66 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.054 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -58.26 -51.1 71.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.501 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.31 137.12 14.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.97 -36.72 2.41 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.806 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.54 -43.0 1.48 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.582 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -92.73 169.32 10.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 91.26 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.597 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.2 m0 -29.63 -56.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.025 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 t -90.41 117.58 29.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 108.331 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.666 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.9 p90 -139.35 165.23 27.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -66.93 163.65 42.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.0 121.83 6.83 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.512 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -32.44 138.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.35 82.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.502 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.0 pt-20 -50.13 116.54 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.06 151.01 36.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.73 95.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 -58.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 108.325 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 m 49.13 75.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 40.8 36.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -165.13 159.82 18.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 5' ' ' GLY . 8.8 m -108.03 -141.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.475 ' N ' ' CG2' ' A' ' 4' ' ' VAL . . . 123.51 2.52 8.89 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.38 155.83 27.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.796 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 90.9 p -56.05 115.01 2.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 163.91 -89.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -46.44 -52.32 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.12 -29.0 70.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.265 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -112.06 45.51 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.67 49.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.517 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.9 148.9 40.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.56 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.95 1.95 7.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.592 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.12 -20.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.06 6.96 44.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.51 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -131.61 20.49 4.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.807 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.8 mmt180 -75.44 126.41 30.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' ASP . 91.5 t -89.33 -2.16 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.475 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.5 t0 39.34 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -14.85 62.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.368 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.55 102.74 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 19.1 m-85 -141.74 145.59 37.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.597 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -81.07 82.6 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -91.47 137.47 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.572 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.0 p -152.22 170.23 8.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 39.16 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.87 -41.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.7 tt0 -75.94 -38.91 57.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -73.14 -28.55 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.303 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.3 m120 -90.36 -4.58 56.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.1 t30 -99.9 -41.53 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.584 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.21 -24.16 25.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.04 73.09 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 173.29 -154.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.489 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.6 m -126.15 149.26 49.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.1 t80 -115.61 173.51 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.3 t70 -176.99 142.95 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.578 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.2 p -133.65 13.92 4.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.04 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -61.48 -48.32 81.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.465 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.05 132.58 12.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -36.93 2.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.34 -46.72 2.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -86.62 171.6 9.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.533 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 92.72 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.578 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.4 m0 -32.16 -52.4 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.3 t -92.8 126.64 37.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 108.267 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.807 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -149.43 165.26 32.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.7 mtpt -68.97 163.74 53.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -74.99 122.69 7.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.1 tt -34.32 140.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -62.28 79.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -54.01 105.27 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -136.95 137.02 39.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.16 122.31 15.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.1 p -63.62 169.95 3.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 108.27 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 59' ' ' PHE . 1.3 t 39.28 68.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.373 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' THR . 7.8 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -159.35 -174.51 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -123.06 159.89 27.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.8 t -138.82 114.69 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -125.07 -1.64 7.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.487 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -122.79 58.91 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 91.9 p -138.23 -44.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.665 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 176.96 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ALA . 40.7 m-20 -36.53 -37.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -50.27 10.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -106.39 46.74 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.665 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -110.3 54.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.516 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -96.94 148.25 34.12 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 1.57 7.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.582 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.53 -20.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.39 6.78 44.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -131.2 20.43 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.815 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -76.12 126.54 31.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.3 t -90.06 -7.85 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.445 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.6 t70 55.81 109.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -19.78 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 108.26 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.66 91.38 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.586 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.3 m-85 -140.02 148.34 54.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -71.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.611 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -91.91 86.89 6.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.591 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.57 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.2 m -98.41 133.25 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -147.49 172.13 5.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 39.44 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.779 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -177.79 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.601 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.2 tt0 -71.3 -39.68 71.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.42 -38.04 74.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 108.271 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -83.9 -1.95 55.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.8 t30 -101.5 -37.83 8.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.586 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -59.22 -29.3 67.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.11 72.61 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.98 -158.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -119.63 152.06 37.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 108.31 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.5 t80 -115.88 173.27 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.1 t70 -179.03 142.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.59 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.0 p -133.75 16.34 3.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -49.12 78.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.48 136.8 13.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.64 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.547 1.814 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.44 -43.55 1.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -91.6 169.32 11.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.554 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 92.21 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.59 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -30.83 -54.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 107.979 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -93.49 112.81 24.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.815 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.6 p90 -133.13 167.44 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -68.76 163.91 50.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 121.61 6.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.1 tt -33.18 136.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.54 77.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 10.5 pt-20 -46.65 115.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.02 -64.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.35 171.61 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.7 139.62 37.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 108.275 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.4 t -129.61 163.99 24.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.366 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.5 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.984 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -121.56 125.31 46.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -175.36 126.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 9' ' ' ASN . 4.4 t -139.85 152.2 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.18 28.66 0.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.693 ' N ' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -130.23 93.47 3.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.55 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 86.1 p 40.22 92.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 159.67 -94.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.437 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 33.2 t-20 -44.83 -48.66 11.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.693 HE22 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -66.6 -30.47 70.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.334 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -110.54 44.68 1.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.54 52.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.531 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.86 150.87 41.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.568 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 1.07 8.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.437 1.756 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.576 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.36 -27.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.3 7.99 29.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -131.71 20.22 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.829 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.5 mmt180 -76.01 136.6 39.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 20' ' ' ASP . 38.7 t -96.46 -4.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.445 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.4 t0 51.12 102.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -26.57 64.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 108.345 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.46 89.07 0.11 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 6.8 m-85 -138.31 148.49 59.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -72.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.629 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -90.74 84.06 5.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.6 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -95.48 118.75 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 7.8 p -129.16 169.31 13.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 38.72 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.59 -38.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.517 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.9 tt0 -77.72 -41.99 35.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -65.72 -36.62 84.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.317 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -84.33 -4.81 59.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.3 t30 -99.49 -38.97 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.589 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -58.3 -26.61 63.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.69 72.49 0.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.95 -158.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.1 m -121.85 150.61 41.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.7 t80 -114.16 173.28 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 23.2 t70 -179.86 141.1 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.578 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.1 p -130.83 16.26 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -51.28 70.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.506 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.71 136.74 14.62 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.5 Cg_endo -75.05 -38.09 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.62 -45.23 1.94 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -89.35 170.76 10.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.514 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.07 93.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.578 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -33.5 -51.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.9 t -95.35 111.8 23.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 108.268 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.829 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -132.07 165.07 24.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -68.83 163.49 55.27 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.01 118.54 5.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.53 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.3 tt -32.8 130.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.6 76.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 8.1 pt-20 -46.92 117.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.21 139.82 23.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.25 158.01 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.2 t -158.37 -63.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 108.341 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.0 m -142.6 142.98 32.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 179.976 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 54.56 103.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -167.77 141.98 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -176.47 132.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.471 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -84.88 22.31 9.64 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.117 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.471 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -34.96 99.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 5' ' ' GLY . 91.6 p 40.04 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 169.96 -72.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -61.03 -55.15 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -63.15 -25.82 68.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.92 43.75 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.77 50.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -89.74 149.3 41.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.547 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.81 . . . . 0.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.615 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 87.02 -14.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.92 2.87 52.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 4.6 t0 -130.15 22.77 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.807 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.7 mmt180 -74.49 138.21 43.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.0 t -97.18 -6.9 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.1 t0 51.8 101.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -22.93 61.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.98 91.71 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.1 m-85 -139.49 147.98 54.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -70.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -92.08 85.49 5.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.5 m -97.97 132.15 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.553 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -146.95 171.14 6.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.592 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 38.62 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' N ' HD21 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.16 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.607 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.2 tt0 -77.42 -35.65 53.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.99 -29.38 58.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.279 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.484 HD21 ' N ' ' A' ' 29' ' ' LYS . 2.3 m-80 -89.97 -3.6 57.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 3.3 t30 -100.21 -41.01 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.593 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.42 -27.56 48.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.07 73.95 0.39 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 170.19 -158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -120.5 151.63 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.304 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.592 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.4 t80 -116.61 173.26 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 23.1 t70 -179.48 143.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.574 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.7 p -134.93 16.92 3.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -47.5 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.448 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -144.15 132.17 10.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -36.06 2.74 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.71 -36.56 1.1 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -97.76 171.64 5.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.539 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 91.25 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.574 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -31.8 -53.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 108.037 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 t -92.78 112.1 23.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.332 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.807 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.9 p90 -133.4 162.74 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -66.78 163.51 42.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.99 119.64 5.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.51 ' C ' ' O ' ' A' ' 51' ' ' PRO . 3.0 tt -31.63 141.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -67.8 69.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' LEU . 1.1 pm0 -39.65 129.32 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.74 80.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.45 159.39 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.5 p -116.97 88.72 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.293 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.2 t -134.13 -49.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.418 ' CG ' ' O ' ' A' ' 59' ' ' PHE . 13.8 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.33 -58.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -161.64 155.65 22.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 5' ' ' GLY . 3.4 p -178.42 77.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 4' ' ' VAL . . . 36.25 88.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.29 -41.34 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.8 p -132.55 -151.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -100.04 29.41 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -49.98 -53.62 25.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -28.59 69.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -113.5 46.15 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 108.268 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -116.2 53.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.503 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.13 149.65 36.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 1.53 7.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.6 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.29 -20.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.9 4.51 52.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -129.27 21.14 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.833 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.2 mmt180 -75.06 137.61 41.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.343 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.9 t -98.5 -1.46 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.465 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.7 t70 47.6 98.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -25.2 62.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 108.305 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.85 93.48 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.5 m-85 -138.11 148.27 59.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.799 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.655 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -88.26 84.02 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.1 m -93.89 138.57 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.592 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 2.7 p -150.9 172.38 5.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.87 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -177.53 -54.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.549 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -60.23 -45.65 92.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -64.24 -35.92 82.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -89.71 3.12 53.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LYS . 15.8 t30 -104.28 -36.29 7.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -26.97 68.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.93 73.1 0.22 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.39 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.5 m -123.4 151.71 42.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.2 t80 -116.39 173.73 6.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.555 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.3 t70 -179.64 144.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.586 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.0 p -134.66 14.26 3.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -58.67 -48.9 79.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.57 134.88 12.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.96 -37.76 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.96 -43.74 1.82 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -90.55 170.89 9.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 93.73 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.586 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -33.47 -53.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 107.997 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.84 110.04 21.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.833 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -129.96 163.48 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -66.41 164.12 34.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.96 116.77 4.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.796 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 51' ' ' PRO . 2.6 tt -34.27 131.95 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.33 83.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -60.64 95.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.28 -59.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.2 130.59 47.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.3 m -50.93 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 108.303 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.4 m -119.79 -63.26 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.448 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.985 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -139.12 -173.04 3.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -37.43 144.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 5' ' ' GLY . 2.4 p 179.12 97.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 4' ' ' VAL . . . 41.08 94.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.4 -44.0 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.3 p -131.29 -149.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.937 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -92.15 28.07 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -52.31 -50.64 61.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -29.28 68.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.3 45.91 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -110.9 43.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.508 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -84.68 147.82 50.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.526 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.04 4.04 5.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.664 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 85.18 -15.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.71 7.03 47.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.86 16.96 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.1 mmt85 -75.0 112.43 11.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 60.5 t -78.54 -7.88 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 58.06 114.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -81.49 -20.75 39.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.261 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.08 91.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 16.3 m-85 -138.21 146.6 52.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -78.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.423 1.749 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.652 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -86.04 83.62 7.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.589 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.0 m -93.83 138.68 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.7 p -152.78 170.65 7.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.98 40.99 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' A' ' 27' ' ' THR . 5.5 tmtt? -178.71 -47.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.595 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -70.74 -42.89 69.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.2 -30.93 71.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.285 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -92.73 2.87 56.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 34.7 t-20 -103.53 -39.29 6.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -59.34 -31.1 68.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.57 73.51 0.18 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.89 -160.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.51 154.13 34.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.7 t80 -118.17 173.29 6.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.56 ' O ' ' CG ' ' A' ' 47' ' ' TRP . 11.1 t70 179.77 145.75 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.612 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.6 p -139.63 16.03 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -61.76 -34.91 76.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.508 HD11 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.24 132.43 6.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -75.02 -38.03 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.15 -34.42 0.33 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.555 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -100.39 169.19 8.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 89.49 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.612 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 9.5 m0 -28.92 -57.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 t -89.97 117.36 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 108.326 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.7 p90 -139.3 165.66 26.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -68.66 164.41 45.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 124.61 8.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.496 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -34.31 137.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.11 79.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' LEU . 5.2 pt-20 -47.32 120.57 3.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -161.15 58.52 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -109.66 -59.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 74.0 m -106.93 -76.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 108.32 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 p -122.09 175.1 6.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.46 77.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.335 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.547 ' CD2' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -126.95 151.96 47.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.406 ' HB ' ' O ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -177.84 129.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 48.55 99.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.574 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -104.7 -79.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 p -91.02 -78.18 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -131.48 8.73 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -44.93 -26.53 0.43 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -91.74 -34.61 14.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -115.39 46.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -116.29 55.2 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.56 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.29 152.29 42.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.56 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 2.56 6.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.602 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 85.42 -26.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.12 4.28 46.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -127.91 20.54 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.794 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.39 135.69 39.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' ' O ' ' A' ' 20' ' ' ASP . 53.6 t -94.81 -0.35 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.7 t70 46.47 97.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -25.17 64.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 108.277 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.98 92.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.2 m-85 -137.98 149.84 65.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 0.8 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -77.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.625 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.02 84.69 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.588 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.6 m -95.05 134.42 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.571 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -148.59 171.52 6.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 40.44 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.55 -47.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.608 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.3 tt0 -69.66 -42.05 74.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -67.9 -33.0 73.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 108.326 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.46 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -90.06 -1.8 58.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.6 t-20 -98.08 -40.1 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -30.5 68.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.47 75.37 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.32 -159.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.0 m -121.61 150.53 41.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.6 t80 -115.28 173.07 6.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.3 t70 179.51 144.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.594 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.4 p -133.4 15.43 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -51.75 67.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.422 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -143.32 134.86 12.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.96 -38.06 1.78 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.513 1.797 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.94 -28.49 0.47 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -104.6 171.01 5.39 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 91.16 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.423 1.749 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.594 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -33.76 -53.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.064 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.6 t -93.91 110.34 22.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.285 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.794 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -130.42 161.03 32.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.4 mtpt -63.91 164.87 14.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.03 120.57 6.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.543 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -34.89 126.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -60.31 80.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 1.6 pt-20 -64.21 76.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' GLN . . . -122.47 163.35 20.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.0 65.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -102.91 99.82 9.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 108.274 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 m 58.6 96.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.392 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 111.035 -179.987 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -170.61 174.8 4.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.257 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -167.01 165.91 15.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 p -137.98 137.75 44.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.73 30.52 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.125 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.427 HD11 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -126.39 43.4 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 8' ' ' ALA . 12.4 p 172.45 -175.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . -51.95 -100.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.443 ' N ' ' HB2' ' A' ' 12' ' ' ALA . 60.7 m-20 47.81 -92.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 8' ' ' ALA . 2.8 tt0 -48.67 -39.25 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 48.64 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.266 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' HB2' ' N ' ' A' ' 9' ' ' ASN . . . -111.68 47.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.503 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.21 147.79 45.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 1.92 7.21 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.666 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.76 -17.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.2 10.16 37.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.487 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -134.19 17.07 3.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.666 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 10.8 mmt85 -74.8 122.05 22.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 52.7 t -86.85 -8.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.6 t0 55.4 108.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.58 -19.8 60.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.36 89.2 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.597 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.6 m-85 -138.29 147.52 55.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -72.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 111.058 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.611 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -90.67 85.62 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -97.54 132.77 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.1 p -147.31 171.27 6.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.02 38.76 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.58 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.9 tt0 -74.98 -39.02 61.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -71.18 -36.4 71.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 108.323 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -84.72 -3.51 58.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 15.5 t30 -99.77 -39.8 8.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.597 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.97 -29.22 63.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.75 72.76 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.61 -159.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -118.43 153.17 34.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.6 t80 -118.1 172.83 7.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.548 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 8.0 t70 -177.97 144.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.608 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.3 p -134.97 14.6 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -57.79 -49.8 75.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.484 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.29 135.52 12.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 -36.87 2.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.36 -41.54 1.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.595 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -94.4 170.55 8.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.554 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.98 91.71 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.608 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.8 m0 -30.7 -56.81 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 107.97 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -89.52 118.68 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 108.327 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.665 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -140.89 166.09 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.5 mtpt -67.02 164.3 36.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.95 123.46 7.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -34.9 134.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.12 69.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' LEU . 7.0 pt-20 -39.47 122.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -176.57 52.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -175.71 -71.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.57 94.17 8.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 108.292 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -108.28 -61.26 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.0 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.983 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.37 175.71 9.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 4' ' ' VAL . 8.0 t80 -130.01 161.45 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.444 ' N ' ' CG ' ' A' ' 3' ' ' TYR . 2.1 p 178.41 111.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 10' ' ' GLN . . . -148.17 106.12 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -104.44 58.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 3.1 p 179.74 107.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.561 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 85.19 -69.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' ALA . 6.4 m120 -40.21 -47.76 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -75.12 -36.33 61.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -102.17 40.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -99.72 36.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.546 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -89.31 152.77 48.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.561 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 -56.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 158.77 -23.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 2.53 56.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.546 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -120.69 13.1 11.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 14.2 mmt85 -75.65 112.88 12.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 20' ' ' ASP . 36.0 t -72.64 -13.56 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER 59.44 114.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -8.19 59.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 108.296 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.38 83.44 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.1 t80 -149.28 145.72 19.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -79.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.692 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -65.95 96.51 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.632 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 19.1 m -126.41 124.59 65.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.582 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.35 173.25 5.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 39.73 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.768 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.69 -47.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.53 -39.52 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.8 OUTLIER -71.68 -27.43 63.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -95.7 3.73 53.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.7 t-20 -101.31 -40.36 7.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.601 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -59.4 -28.06 66.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.1 71.92 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.88 -154.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.0 m -125.37 150.47 47.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 108.312 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.6 t80 -117.91 173.63 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.3 t70 -179.13 147.17 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.598 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.8 p -139.82 14.25 2.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -40.57 89.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.474 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -152.2 134.26 8.54 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -33.77 4.32 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.22 -35.56 2.59 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.502 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -97.57 170.44 7.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.564 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 88.82 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.598 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -30.12 -57.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.467 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.3 t -91.26 114.0 26.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -135.57 165.65 25.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.3 mtpt -67.96 162.17 61.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 125.75 9.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.507 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -34.89 138.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.4 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -62.21 79.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.0 pt-20 -47.73 113.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.74 107.05 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.63 -74.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.26 -70.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.6 p -126.13 113.1 16.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.3 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 -179.975 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -149.63 -77.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -130.6 173.36 10.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 p 178.91 105.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.63 -20.07 0.79 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.65 -33.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 0.73 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 28.2 p -112.14 129.48 56.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 82.51 -76.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -40.47 -29.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.45 ' N ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -84.67 -45.41 12.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.8 m -107.78 45.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 108.283 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -113.47 52.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.539 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.89 150.25 41.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.539 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 3.66 5.44 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.582 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 85.07 -23.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -89.85 8.64 31.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.946 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -132.64 19.96 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.809 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -75.89 125.97 30.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' ASP . 79.9 t -87.47 -1.85 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.3 t0 39.57 89.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -15.55 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.94 102.24 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 18.9 m-85 -140.67 145.93 42.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -84.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.46 1.768 . . . . 0.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.631 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -81.25 82.03 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.555 -179.953 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.9 m -90.62 136.86 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.575 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.7 p -150.48 171.34 6.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.594 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 40.04 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -179.55 -46.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.589 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -68.78 -44.13 74.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.516 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.92 -32.04 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 108.256 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 9.9 t30 -91.58 -1.65 57.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 2.5 t30 -95.89 -38.79 10.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -63.69 -23.0 67.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.8 75.14 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.5 -156.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.2 m -126.44 147.75 49.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 108.347 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.594 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.4 t80 -113.64 173.46 6.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.548 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.8 t70 -178.65 142.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.572 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.6 p -132.34 14.73 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -60.35 -49.63 76.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.433 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -141.28 133.65 14.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.39 -44.15 2.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.15 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -88.28 170.8 10.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 91.62 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.572 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.43 -52.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.475 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 5.5 t -93.03 127.06 38.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.809 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -148.88 163.88 36.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.8 mtpt -66.78 165.0 28.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 123.03 7.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.52 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.85 129.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.04 77.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 1.6 pp20? -48.38 117.56 2.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -165.64 46.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 41.1 53.09 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.85 110.13 8.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 108.277 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.4 t -175.08 85.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.999 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -92.4 173.34 7.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 110.238 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.439 ' OH ' ' O ' ' A' ' 57' ' ' CYS . 3.8 p90 -133.3 153.54 51.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' A' ' 5' ' ' GLY . 29.0 m -146.97 -134.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 7' ' ' SER . . . -157.07 54.25 0.4 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -39.31 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 5' ' ' GLY . 3.0 p 169.72 -96.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.955 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -125.81 1.27 7.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -46.17 -25.03 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -94.24 -36.98 11.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -115.04 45.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.296 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.582 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -114.87 56.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.544 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -94.36 151.4 39.38 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.544 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.91 3.24 5.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.605 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 84.98 -27.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 6.62 33.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -130.38 20.27 5.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.793 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.93 133.27 39.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 20' ' ' ASP . 21.6 t -92.54 -3.48 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 19' ' ' VAL . 8.3 t0 50.53 101.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -24.68 61.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.95 93.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.4 m-85 -139.28 148.0 55.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -72.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.618 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -91.57 86.69 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.571 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.2 m -97.96 137.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.567 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.4 p -151.75 171.06 6.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.598 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 39.59 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.96 -45.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.6 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -70.58 -42.69 70.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.533 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -66.88 -37.13 83.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.276 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -84.12 -4.33 58.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 25.5 t30 -98.5 -38.95 8.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -58.84 -27.61 65.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.22 72.84 0.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.4 -158.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.9 150.62 40.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.5 t80 -114.83 173.03 6.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 19.3 t70 179.5 141.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.58 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.9 p -131.35 17.09 4.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.949 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HB3' HG13 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -58.83 -52.15 66.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.431 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -142.83 135.07 13.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -37.7 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.93 -30.28 0.66 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.419 HG23 ' CD1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -102.92 170.98 5.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 91.55 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.781 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.58 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -34.03 -53.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -94.3 109.18 21.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.793 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -129.03 162.86 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.2 mttt -64.41 163.53 25.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 118.92 5.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.518 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.6 tt -35.08 130.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.5 79.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LEU . 5.3 pt-20 -46.79 119.98 2.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -159.05 -65.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -46.02 171.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.439 ' O ' ' OH ' ' A' ' 3' ' ' TYR . 1.2 m 67.53 65.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -94.69 -65.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.95 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -70.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 t80 178.67 158.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.1 m -114.82 -154.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 151.71 -20.88 0.9 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 7' ' ' SER . 0.2 OUTLIER -111.01 -100.07 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 109.281 -179.934 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' LEU . 3.1 p 37.65 -107.22 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.538 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -144.67 15.26 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -64.24 -52.46 58.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.407 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -63.58 -32.72 74.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 47.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.336 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -100.29 41.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.543 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -93.07 152.36 41.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.534 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.98 -58.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 160.25 -23.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.03 1.12 57.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.543 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -117.02 9.94 13.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.0 mmt85 -76.77 108.64 9.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' ASP . 70.4 t -75.45 -9.22 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 59.48 116.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -86.09 -21.35 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.56 92.21 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.579 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 13.7 m-85 -137.43 147.44 57.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -76.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.642 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -87.98 84.84 6.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.626 180.0 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.4 m -94.81 140.23 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.609 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.3 p -152.21 172.69 5.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.593 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 38.57 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.55 -55.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.3 tt0 -59.35 -45.04 92.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -63.66 -41.1 98.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -82.07 -2.29 51.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' LYS . 22.7 t-20 -100.97 -35.27 9.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -62.09 -25.17 67.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.964 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.73 71.02 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 170.35 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -122.75 152.76 40.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.609 ' CD1' ' O ' ' A' ' 27' ' ' THR . 70.7 t80 -116.04 173.73 6.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.6 t70 179.19 140.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.594 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.4 p -133.94 16.64 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -41.97 92.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.437 HD12 ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -151.5 133.79 8.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.09 -33.83 4.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.23 -28.64 1.43 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.556 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -105.47 170.64 5.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 88.72 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.594 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.33 -56.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 107.995 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 t -92.08 111.94 23.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 108.26 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.9 p90 -132.46 165.18 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.1 mtpt -62.81 162.45 21.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.01 126.1 9.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -38.42 140.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.39 80.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 2.4 pt-20 -54.49 102.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.66 -53.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.51 -177.65 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.13 139.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' PHE . 7.1 m -130.79 -66.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' THR . 2.3 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -94.51 132.98 38.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -59.83 96.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.7 m -135.98 150.02 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.68 89.83 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -90.22 153.1 20.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 5.1 p 66.22 49.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' CYS . . . 167.66 -87.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -46.83 -24.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.3 mm-40 -95.12 -30.55 13.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -113.44 42.64 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 108.298 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -110.03 46.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -86.1 148.35 47.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.579 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 0.84 8.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.571 1.827 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.656 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.92 -18.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.26 10.13 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.504 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -134.02 16.91 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.5 mmt85 -75.59 118.12 18.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.4 t -82.79 -8.33 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 56.77 109.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -19.32 56.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.93 92.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.9 m-85 -140.37 147.44 49.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -75.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.462 1.769 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.635 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.14 83.86 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.641 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.584 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.5 m -95.26 135.29 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.572 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -149.83 171.47 6.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.91 39.28 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.28 -45.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.592 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.7 tt0 -71.8 -40.59 69.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.58 -32.47 69.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.247 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.448 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -90.41 -1.75 57.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 1.8 t30 -98.8 -41.33 7.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -29.06 64.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.92 74.85 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.17 -159.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.5 m -119.9 152.28 37.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 108.317 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.8 t80 -118.35 173.45 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.0 t70 -178.5 145.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.606 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.1 p -135.66 13.43 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -51.34 69.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.487 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.32 135.45 14.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -36.2 2.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.12 -42.44 1.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.589 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -92.89 170.49 8.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 109.339 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.559 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 91.46 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.797 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.606 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.42 -56.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 107.955 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -89.6 119.35 29.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.7 p90 -142.27 163.75 32.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.4 mtpt -67.22 164.23 38.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.02 124.26 8.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.533 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.2 tt -35.25 132.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.82 79.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 1.5 pp20? -47.28 119.64 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.72 94.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.39 -55.25 7.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -126.84 -58.52 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 108.314 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.6 p -123.16 174.23 7.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.74 178.48 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -167.38 176.17 6.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.4 p -152.02 120.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' NE2' ' A' ' 10' ' ' GLN . . . -162.42 26.45 0.24 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -110.71 177.97 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 33.5 p -46.21 165.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 83.74 -73.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 12' ' ' ALA . 10.8 t30 -52.98 -76.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 51' ' ' PRO . 1.7 pt20 -47.73 -24.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.17 42.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 108.251 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -114.01 50.98 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.76 150.06 43.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 1.27 7.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.587 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.83 -27.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.07 10.18 20.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.53 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -133.57 19.02 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.818 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -75.66 140.43 42.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.47 ' O ' ' O ' ' A' ' 20' ' ' ASP . 88.4 t -99.76 4.2 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.0 t70 43.52 96.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -69.58 -24.58 63.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.28 -179.956 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.72 96.02 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 16.2 m-85 -139.7 146.87 49.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -79.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.621 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -86.52 84.81 7.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.643 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.578 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.8 m -94.03 141.24 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.6 p -152.7 172.86 5.08 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.383 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.582 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 37.77 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.46 -55.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.611 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tp10 -59.01 -45.44 90.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.534 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -63.15 -42.18 99.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 108.296 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.1 -3.76 50.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' LYS . 21.4 t-20 -100.1 -35.07 9.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 3.1 tpt85 -61.36 -25.43 67.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.3 69.63 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 170.73 -155.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -123.64 152.75 41.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD1' ' O ' ' A' ' 27' ' ' THR . 72.6 t80 -115.33 174.47 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 24.7 t70 178.15 140.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.585 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -130.44 15.2 5.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -49.33 77.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.496 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.32 135.52 11.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.03 -36.49 2.5 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.55 -41.66 1.74 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.496 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -93.64 171.67 6.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.585 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -33.71 -51.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.419 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.9 t -95.39 110.1 22.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.818 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.0 p90 -130.6 165.06 23.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.7 mtpt -71.33 165.11 51.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -74.98 119.31 5.6 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.525 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.5 tt -34.18 134.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -61.79 80.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.5 pt-20 -49.54 114.92 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.31 167.16 30.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.83 -52.45 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.1 m -99.31 136.53 39.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 108.332 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' PHE . 70.6 p -95.74 170.33 9.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' THR . 1.4 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -150.49 143.61 24.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.481 ' CD2' HG21 ' A' ' 4' ' ' VAL . 43.3 t80 -177.91 170.56 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.481 HG21 ' CD2' ' A' ' 3' ' ' TYR . 3.1 t 81.09 69.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.56 -19.82 0.8 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' OG ' ' A' ' 7' ' ' SER . 1.0 OUTLIER -90.5 163.07 14.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.333 179.934 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 6' ' ' LEU . 2.8 p 54.22 -175.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.8 39.1 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -53.97 -58.55 6.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -62.04 -24.86 67.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 46.37 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.345 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.75 46.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.523 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -87.93 147.83 41.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -74.98 1.37 7.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.636 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.17 -19.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.47 10.65 31.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.03 16.28 3.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.67 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.2 mmt85 -76.64 112.25 13.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' ASP . 91.6 t -77.9 -4.89 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.5 t70 58.35 115.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.69 -24.07 27.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.329 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.09 99.57 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 17.9 m-85 -145.9 147.19 31.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -77.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.632 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -85.46 83.01 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.587 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 28.6 m -94.37 138.06 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.48 ' CG2' ' C ' ' A' ' 26' ' ' VAL . 4.3 p -152.36 169.36 9.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.73 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 7.8 tmtt? -178.04 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.441 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 1.2 tt0 -78.28 -40.03 38.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -72.77 -27.29 61.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 108.333 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.76 4.01 52.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 7.4 t30 -104.04 -41.89 5.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.434 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.83 -35.7 69.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.75 74.74 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.65 -160.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.5 m -119.42 154.07 34.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 108.308 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.7 t80 -120.41 174.52 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 12.4 t70 -177.29 145.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.585 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.3 p -135.26 13.37 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.75 -51.55 69.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.496 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 136.4 14.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -75.0 -36.52 2.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.51 -45.69 1.95 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.586 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -88.47 169.89 12.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 90.36 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.585 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -29.44 -57.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 107.998 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.4 t -89.94 116.67 28.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.67 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -138.58 164.82 28.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.3 mttt -66.26 163.41 39.37 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.01 120.65 6.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.534 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.2 tt -33.3 131.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -67.22 68.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.3 pt-20 -43.43 115.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.38 -60.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.26 131.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 p -53.36 -61.37 2.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.315 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 59' ' ' PHE . 0.7 OUTLIER 44.98 -168.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.444 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.468 ' N ' ' CG2' ' A' ' 58' ' ' THR . 39.1 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.82 167.6 21.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -83.64 -178.08 6.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.86 -134.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -160.97 29.76 0.32 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -38.11 -64.89 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 97.8 p -131.1 157.8 42.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 83.04 -70.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -52.63 -38.55 60.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -31.02 52.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.8 47.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.28 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -112.32 49.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.526 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.06 149.23 47.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 1.53 7.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.799 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.53 -21.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.62 10.8 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.522 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.68 16.98 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.676 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.2 mmt85 -75.88 116.63 16.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 87.7 t -81.58 -9.58 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.5 t70 58.21 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.77 -18.18 51.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.315 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.07 89.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.3 m-85 -139.24 147.5 53.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -70.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.499 1.789 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.617 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -91.76 86.32 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.944 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.2 m -98.52 131.12 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.581 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.6 p -144.62 172.68 5.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 39.72 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.25 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.6 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.6 tt0 -68.04 -40.9 82.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.581 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -67.46 -40.1 85.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 108.303 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 4.5 t30 -81.76 -6.77 59.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 29.0 t30 -94.7 -38.24 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.607 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.71 -26.46 65.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.01 72.24 0.31 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.04 -157.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.512 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -120.76 152.81 37.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.7 t80 -117.19 173.21 6.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.2 t70 -178.82 141.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.595 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.0 p -131.67 16.03 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.59 -51.43 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.502 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.25 136.38 13.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 -37.0 2.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.32 -41.49 1.09 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.594 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -94.46 170.18 8.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.555 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 91.78 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.595 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.8 m0 -30.65 -56.17 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 t -90.78 116.93 29.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.237 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.676 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -138.74 167.22 22.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -67.52 163.14 50.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.0 121.83 6.82 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.523 1.801 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.46 136.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -59.51 84.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -68.32 78.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.59 115.98 30.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -51.55 -59.34 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.4 m -103.02 140.04 37.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.8 t -48.62 -50.16 33.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.412 179.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.996 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.09 -170.7 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -159.36 -173.48 4.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.4 t 77.6 69.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.483 ' HA3' ' CB ' ' A' ' 9' ' ' ASN . . . -133.59 17.37 4.46 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' SER . 0.6 OUTLIER -100.47 122.09 42.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.525 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 3.8 p 61.18 128.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 85.32 -74.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.483 ' CB ' ' HA3' ' A' ' 5' ' ' GLY . 7.8 m-80 -52.23 -62.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.98 -27.42 52.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -115.6 48.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 108.285 -179.939 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' ASN . . . -116.85 50.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.01 149.62 39.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.564 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.487 1.782 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.58 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 88.14 -25.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -89.31 8.49 30.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.518 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.83 21.49 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.813 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.9 mmt180 -75.78 132.91 40.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 1.9 t -90.48 -8.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.482 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.8 t0 53.96 104.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -10.31 59.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 108.273 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.53 79.04 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.621 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -145.81 146.16 27.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -77.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.694 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -67.97 97.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.575 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.525 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.7 m -126.23 124.6 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.592 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -139.54 174.34 4.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.07 38.97 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -176.97 -46.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.2 OUTLIER -69.75 -38.89 76.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -73.14 -26.64 61.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -97.11 5.01 51.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 40.4 t-20 -101.82 -40.59 6.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.621 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -60.45 -26.84 67.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 179.952 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.47 72.67 0.42 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.92 -155.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.475 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -125.81 149.36 48.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 108.298 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 76.9 t80 -117.27 174.09 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 18.0 t70 -178.64 146.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.581 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.9 p -137.08 13.71 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -48.66 80.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.92 134.73 13.06 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -36.7 2.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.74 -47.93 2.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -85.78 171.09 11.22 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 93.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.581 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.1 m0 -32.79 -54.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.8 t -93.61 112.23 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.316 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.813 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -132.54 165.22 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -68.02 163.89 46.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.02 122.88 7.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.049 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.518 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.8 tt -34.91 136.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.03 78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 7.3 pt-20 -49.53 115.3 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.85 87.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -65.17 114.44 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.89 -63.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.298 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.8 t -138.82 140.25 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.444 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.981 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -95.6 -79.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -155.43 179.63 8.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 3.3 p -168.01 106.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -74.84 -109.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 6' ' ' LEU . 1.1 pp 35.5 65.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.1 p -180.0 -35.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.046 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.575 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -154.99 -47.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 22.0 t-20 -57.35 -65.19 0.67 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 1.8 tt0 -60.39 -23.38 64.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 49.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.336 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -112.34 57.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.514 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -97.86 149.56 35.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.563 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 -0.0 9.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.598 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 88.13 -25.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.88 6.2 40.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.501 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 7.0 t0 -131.3 21.83 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.43 132.51 39.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -92.83 -9.07 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.9 t0 55.39 107.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.19 -21.23 58.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 108.278 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.52 90.64 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 6.6 m-85 -139.53 147.71 53.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -70.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.62 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -91.5 85.21 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.619 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.8 m -97.67 132.03 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.552 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.2 p -146.73 171.43 6.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.77 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.0 tmtt? -176.96 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.605 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.5 tt0 -75.55 -37.13 60.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -74.58 -30.13 61.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.271 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.422 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -89.26 -3.83 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 29.6 t30 -100.56 -40.97 7.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.608 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.27 -29.18 57.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.96 73.73 0.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.86 -159.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.472 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -119.01 152.14 36.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.312 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.2 t80 -116.33 173.06 6.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.7 t70 -179.47 142.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.598 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.9 p -132.17 14.94 4.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -51.29 70.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.503 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 137.1 14.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -75.05 -38.19 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.16 -43.27 1.37 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.503 HG12 ' CD1' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -91.52 169.43 11.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.552 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 91.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.769 . . . . 0.0 111.002 -179.935 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.598 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.87 -53.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -93.78 112.8 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.7 p90 -132.88 165.25 25.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.3 mttt -66.38 164.82 27.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.98 122.05 6.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.522 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -31.23 139.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.61 76.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.6 pm0 -40.01 121.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 57' ' ' CYS . . . -133.64 56.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 66.11 -73.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.1 t 57.4 59.84 3.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 108.255 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.9 p -137.43 -58.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.435 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 111.027 179.946 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 3' ' ' TYR . 10.2 pt-20 -123.54 -170.48 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' A' ' 4' ' ' VAL . 1.2 t80 58.4 132.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.95 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 10.8 m -104.21 -148.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 137.99 -12.83 3.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.429 ' O ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -73.98 -4.2 33.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 5.5 p -170.5 73.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 168.8 -81.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -36.63 3.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.49 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.4 tt0 -78.25 -34.45 49.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -114.29 47.63 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 108.345 179.959 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -101.51 42.57 1.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.55 HG22 ' CE1' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -92.68 152.1 41.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.05 -60.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.537 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 162.93 -22.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.226 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.26 0.78 57.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.546 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -117.03 10.09 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.736 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.3 mmt85 -77.36 116.66 18.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' ASP . 17.7 t -83.3 -5.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.3 t0 57.14 114.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -22.25 26.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.66 95.73 0.05 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 14.7 m-85 -143.59 143.8 25.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.788 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -71.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.43 1.753 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -88.87 83.66 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 109.581 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.58 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.2 m -97.07 139.25 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.652 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 11.0 p -149.48 169.28 9.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.586 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 35.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -174.97 -47.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.485 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.4 OUTLIER -69.42 -31.86 70.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.652 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -79.45 -29.16 41.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.973 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.469 HD21 ' N ' ' A' ' 29' ' ' LYS . 1.1 m-80 -94.42 0.64 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 39.5 t30 -103.43 -40.51 6.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -28.34 63.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 124.15 74.68 0.26 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 168.94 -158.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -122.75 154.09 38.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.326 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.586 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.9 t80 -119.55 175.63 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.1 t70 177.43 142.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.633 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.6 p -139.53 18.37 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -32.56 71.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.478 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -152.85 125.68 4.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.443 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -34.17 4.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.771 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.51 -30.03 1.31 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.548 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -104.47 173.37 3.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.506 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.2 Cg_endo -75.0 92.48 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.633 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -34.48 -56.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.016 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.41 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.3 t -91.85 109.6 20.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.736 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.1 p90 -130.35 164.14 25.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -60.78 162.38 12.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.49 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.96 122.44 7.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -35.63 132.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.87 75.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.9 pt-20 -46.13 118.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.39 106.74 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.0 139.61 33.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 -179.947 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 117.7 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.9 p -81.33 170.22 16.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.7 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.951 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 2' ' ' GLU . 2.6 mt-10 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 3.2 mt-10 167.0 64.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -173.22 103.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.447 ' CG2' HG23 ' A' ' 58' ' ' THR . 3.3 m -129.76 -171.96 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.475 ' O ' ' NE2' ' A' ' 10' ' ' GLN . . . 147.7 -84.4 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 111.041 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -36.96 129.52 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.782 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.642 ' N ' HE22 ' A' ' 10' ' ' GLN . 44.8 p 61.25 138.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.959 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . 40.07 -160.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.3 m120 66.67 -61.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.642 HE22 ' N ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -78.58 -33.82 47.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 -179.967 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -117.18 42.78 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.76 38.36 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.542 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -91.58 152.01 43.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.543 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.554 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 159.88 -22.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 4.16 54.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.542 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -121.31 10.32 10.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.74 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.1 mmt85 -76.17 122.86 24.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.1 t -88.52 -8.74 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.7 t0 58.55 115.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.42 -25.63 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.93 90.17 0.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.4 m-85 -137.67 148.55 61.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -75.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.62 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -89.14 84.91 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 31.5 m -95.65 139.39 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.635 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.6 p -151.57 173.52 4.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.587 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 37.44 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.61 -54.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.96 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.566 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.1 tt0 -61.83 -33.73 74.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.635 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.33 -37.11 53.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.312 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.463 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -83.58 -5.36 59.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' LYS . 54.9 t-20 -100.59 -37.42 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.538 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 5.0 tpt85 -57.74 -26.1 61.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.35 71.77 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 168.17 -157.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.88 154.29 36.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 108.308 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 27' ' ' THR . 75.6 t80 -118.27 174.97 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.2 t70 178.32 140.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.598 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.4 p -136.04 18.29 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.049 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -34.82 79.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.485 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -154.66 131.11 5.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 -33.94 4.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.17 -38.18 2.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.542 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -97.05 172.09 5.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -75.01 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.598 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -33.44 -54.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.018 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 t -94.16 112.65 24.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.74 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.5 p90 -133.14 165.09 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -63.63 162.79 24.69 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.03 120.45 6.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.788 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -37.44 138.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.942 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.11 79.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.5 pt-20 -52.97 108.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -145.97 -59.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -92.3 164.25 13.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 m 63.39 110.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 108.325 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.447 HG23 ' CG2' ' A' ' 4' ' ' VAL . 55.1 m 63.76 114.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 110.406 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.424 ' O ' ' CG ' ' A' ' 59' ' ' PHE . 75.1 t80 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -158.75 -48.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.554 ' CD2' ' O ' ' A' ' 3' ' ' TYR . 30.9 t80 -148.13 93.93 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.33 94.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.62 3.26 6.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.87 48.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 0.737 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.9 p -156.48 -170.27 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.637 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -76.82 -21.08 55.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' ALA . 4.3 t-20 -38.81 -29.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -87.99 -46.71 9.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.3 m -111.5 47.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.637 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -113.81 51.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.538 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.24 150.31 42.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.561 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.91 1.43 7.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.57 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 87.87 -27.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 -179.918 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.38 8.23 28.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.51 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.04 20.53 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.8 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -76.05 127.52 33.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.9 t -88.3 -3.43 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 39.78 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -15.86 63.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.99 100.9 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 17.5 m-85 -139.19 146.36 48.78 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.75 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -84.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.608 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -81.21 82.66 7.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.3 m -91.28 136.37 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.3 p -150.55 169.44 9.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.595 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.58 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' N ' HD21 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.55 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.608 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tt0 -79.53 -37.05 37.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.41 -28.04 60.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 108.277 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.475 HD21 ' N ' ' A' ' 29' ' ' LYS . 1.9 m-80 -91.36 -3.29 56.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.9 t-20 -100.68 -42.73 6.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.592 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.46 -24.61 20.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.69 73.82 0.51 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 172.56 -155.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.975 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.7 m -124.91 149.61 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -115.88 173.69 6.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 18.6 t70 -178.01 143.56 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.587 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.8 p -134.85 13.73 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -47.06 87.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.48 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.65 133.91 12.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 -37.02 2.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.54 -47.07 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -86.26 170.81 11.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 92.69 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -31.84 -52.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.979 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.425 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.0 t -93.66 127.07 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 108.303 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.8 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -149.25 164.11 35.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -65.47 163.5 32.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.497 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.02 122.16 7.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.546 1.814 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.515 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.59 133.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.1 81.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 1.5 pp20? -53.53 107.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.0 134.4 45.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -53.0 -62.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -160.44 -64.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 108.281 -179.964 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -162.96 151.93 14.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 29.1 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.94 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.37 90.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -126.83 174.77 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.54 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 8.6 p -164.3 -137.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.54 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -151.33 30.22 0.96 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.092 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 7' ' ' SER . 0.2 OUTLIER -39.71 96.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 5' ' ' GLY . 2.4 p 165.13 -96.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -108.46 -26.4 10.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.527 ' CB ' ' HA2' ' A' ' 5' ' ' GLY . 16.4 t-20 -38.68 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' N ' ' C ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -85.73 -48.45 8.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.336 179.973 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -107.16 44.18 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 108.27 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.621 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -99.79 40.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.524 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -90.71 152.51 44.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.556 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.05 -57.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 158.7 -21.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -1.5 54.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.524 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -115.13 11.14 16.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.723 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -76.31 115.49 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' ASP . 10.2 t -81.54 -10.56 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.9 t0 59.51 116.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.35 -27.18 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.252 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.88 90.27 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.937 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.2 m-85 -137.51 148.01 59.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.44 0.729 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -76.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.619 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -85.99 82.2 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.648 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.584 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.8 m -93.27 137.45 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.1 p -151.22 168.9 10.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.0 Cg_endo -75.09 39.91 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -178.34 -39.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.598 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tp10 -78.63 -39.89 35.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.71 -33.71 71.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 -179.998 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -87.36 -3.1 59.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.1 t30 -100.19 -41.49 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.6 -25.58 39.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.34 73.59 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.68 -157.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.971 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -121.41 151.69 39.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 76.0 t80 -117.12 173.28 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.4 t70 -179.97 144.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.595 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.5 p -137.26 14.48 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.9 -39.05 80.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -154.04 134.61 8.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -36.7 2.41 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.21 -36.47 0.91 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.543 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -97.95 170.79 6.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 90.84 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.595 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -31.75 -55.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.61 111.33 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.32 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.723 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -131.92 164.8 25.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.492 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.9 mtpt -62.53 162.86 17.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.96 124.88 8.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.056 179.949 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.513 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -37.53 128.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.503 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -66.45 62.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 52' ' ' LEU . 6.2 pt-20 -48.17 97.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.44 -67.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.51 78.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.1 m 64.8 159.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.297 -179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.7 m -82.71 -60.49 2.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.371 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.2 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.049 -179.977 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 60.75 111.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -132.97 151.76 52.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.448 HG12 ' CB ' ' A' ' 9' ' ' ASN . 61.3 t -145.54 90.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.16 18.2 1.06 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.5 138.43 45.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 88.8 p -51.02 105.09 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 167.13 -70.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.448 ' CB ' HG12 ' A' ' 4' ' ' VAL . 11.6 m-80 -62.46 -51.74 66.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 52' ' ' LEU . 5.0 pt20 -67.22 -26.82 66.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -107.86 40.6 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.307 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.13 55.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.521 HG13 ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -93.91 150.63 38.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.575 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 -0.91 10.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.589 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.28 -25.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -89.0 8.08 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.521 ' HB3' HG13 ' A' ' 13' ' ' VAL . 9.3 t0 -134.14 22.39 3.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.818 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -75.73 140.72 42.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.7 t -97.48 -2.4 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 46.9 97.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -22.23 64.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.91 93.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.9 m-85 -139.59 148.99 58.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -74.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.811 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.626 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.59 86.12 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.0 m -97.3 132.96 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -146.41 171.64 6.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.593 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 40.12 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.92 -48.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.608 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -68.62 -42.73 77.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -66.53 -35.14 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 108.278 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.448 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -87.85 -1.8 58.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.9 t-20 -98.94 -38.95 8.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -60.45 -28.83 68.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.98 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.96 74.69 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.81 -159.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -121.22 151.13 40.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 108.304 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.0 t80 -115.52 173.86 6.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.558 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.5 t70 179.33 143.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.593 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.5 p -134.0 14.83 3.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -47.39 85.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.319 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.22 133.48 10.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -37.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.64 -39.6 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -95.09 171.83 6.12 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.95 92.93 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.453 1.765 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.593 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -33.46 -51.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.997 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.96 110.76 22.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 108.3 -179.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.818 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.0 p90 -131.27 163.11 28.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -68.24 164.24 44.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.939 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.93 118.18 5.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.821 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 54' ' ' GLU . 2.6 tt -32.11 125.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.493 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -69.35 56.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.531 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -36.99 119.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.964 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -160.29 150.19 17.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.7 -62.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -178.23 114.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 179.962 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.9 p -59.51 132.33 53.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -162.26 61.05 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.408 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -179.57 -147.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.963 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 3' ' ' TYR . 12.5 t 74.33 46.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 179.938 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.29 16.02 1.68 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -99.6 159.89 14.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 0.725 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 88.0 p -46.93 172.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 84.22 -72.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -59.44 -55.04 39.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.401 ' OE1' ' SG ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -62.4 -26.45 68.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.63 45.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.245 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.18 48.22 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.546 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.47 149.96 45.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.546 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 2.96 6.03 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.6 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 86.41 -27.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.85 9.83 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.17 20.05 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.814 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.1 mmt180 -76.63 131.75 39.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ASP . 46.9 t -88.58 -5.34 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t0 52.38 102.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -9.04 56.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 108.321 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.83 80.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.604 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -147.83 143.76 18.21 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.545 0.791 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -80.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -62.41 94.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.968 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 26.7 m -127.0 124.99 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.583 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -139.32 174.58 3.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.984 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.599 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.92 37.16 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.51 ' N ' HD21 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.4 -44.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.441 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -72.24 -32.64 66.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -80.57 -27.08 37.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 179.999 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.51 HD21 ' N ' ' A' ' 29' ' ' LYS . 1.6 m-80 -94.9 1.67 55.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 2.4 t30 -101.9 -40.92 6.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.604 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.07 -23.94 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 179.996 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.96 75.74 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.08 -154.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 12.0 m -127.21 149.16 50.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 -179.992 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.599 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.6 t80 -116.67 174.47 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.3 t70 179.12 144.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.592 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -135.67 15.83 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.33 -47.92 80.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -141.49 132.83 13.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.952 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 -37.87 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.37 -42.66 2.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -89.1 171.04 9.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.495 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.99 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.592 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.0 m0 -34.44 -53.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.03 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.9 t -94.82 112.13 23.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.322 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.814 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.7 p90 -131.65 168.88 16.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.514 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.3 mtpt -73.31 164.76 58.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.93 123.82 8.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.456 1.766 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.532 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -34.34 134.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.431 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -64.17 76.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 8.4 pt-20 -45.16 119.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -165.32 -62.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.62 175.94 5.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.1 m -104.81 90.1 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 108.295 -179.965 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.4 t -53.15 168.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -175.21 168.99 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -103.24 154.88 18.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.2 p -166.26 47.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.81 109.5 2.9 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 pp -114.17 45.39 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 87.9 p -169.8 111.95 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.961 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . 84.01 -68.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -54.86 -46.84 74.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.158 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.86 -32.32 70.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.83 46.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -116.7 52.81 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.554 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.02 151.46 45.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.559 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.05 1.37 7.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.58 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 87.87 -27.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 8.57 25.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.511 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -132.15 19.72 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.817 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.0 139.99 41.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 20' ' ' ASP . 59.0 t -99.9 -1.72 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.3 t0 47.68 98.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -24.94 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.53 92.98 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.115 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.0 m-85 -138.75 149.67 62.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -76.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.617 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -88.81 84.75 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.618 179.995 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.9 m -94.64 128.96 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.52 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 7.3 p -142.0 169.26 11.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.591 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.96 38.97 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -176.57 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.566 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tp10 -78.75 -38.8 37.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -71.49 -31.52 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.449 HD21 ' N ' ' A' ' 29' ' ' LYS . 2.3 m-80 -87.3 -6.61 58.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.7 t-20 -99.7 -40.81 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.554 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 5.2 tpt180 -54.79 -27.08 38.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.82 73.23 0.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 168.38 -159.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.996 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.4 m -119.54 151.36 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.591 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.4 t80 -115.8 173.57 6.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.8 t70 179.91 143.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.582 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.6 p -133.68 15.22 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -58.83 -48.6 80.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.496 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.82 134.87 11.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 -37.46 2.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.23 -41.84 1.57 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.496 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -92.72 171.59 7.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.02 93.24 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.449 1.762 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.582 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -33.68 -52.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.013 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -95.09 110.59 22.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.288 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.817 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -130.79 163.28 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.9 mtpt -66.37 164.4 31.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 117.07 4.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.436 1.756 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.546 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -32.22 129.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.63 85.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -75.95 56.46 0.98 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 -179.974 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 56' ' ' GLU . . . -101.13 66.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ALA . 1.5 mt-10 38.7 60.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 78.3 -66.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 108.27 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' PHE . 13.5 t -166.8 142.32 4.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.82 -177.7 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.486 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 4.5 p90 -170.39 99.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.2 t 69.07 24.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.32 11.2 3.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.62 -34.33 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 23.0 p 53.0 99.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 167.42 -82.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.08 -44.07 51.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -73.04 -31.47 64.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.3 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -111.18 44.56 1.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -115.92 56.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.525 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -97.12 151.13 37.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.537 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 2.96 6.05 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.596 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 86.09 -26.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.92 7.69 29.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.483 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -132.36 21.23 4.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.787 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -76.55 135.62 39.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.957 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.8 t -93.54 -3.73 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.3 t70 49.2 98.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.6 -28.72 66.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 179.96 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.55 91.4 0.11 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.575 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.0 m-85 -137.09 148.14 61.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -75.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.645 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -89.08 84.79 6.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.986 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.575 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.8 m -94.98 139.24 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.632 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.7 p -152.5 173.17 4.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.48 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 37.72 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.521 ' N ' HD21 ' A' ' 32' ' ' ASN . 1.7 tmmm? -177.13 -53.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.469 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.4 tt0 -62.84 -34.86 78.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.632 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -76.74 -36.1 57.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.983 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.521 HD21 ' N ' ' A' ' 29' ' ' LYS . 1.1 m-80 -87.86 1.32 54.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' LYS . 19.8 t-20 -104.15 -37.53 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -28.73 68.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.24 -179.952 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 124.82 73.52 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.13 -158.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.964 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 m -121.15 153.11 37.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 27' ' ' THR . 77.4 t80 -116.63 174.7 5.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 12.9 t70 176.72 141.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.7 p -134.48 18.19 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -62.96 -44.55 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.999 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.418 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -145.36 131.07 9.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.0 -38.03 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.557 1.82 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.63 -28.09 0.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.445 1.09 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.429 HG13 ' HB2' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.71 171.27 5.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.33 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.797 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -34.96 -53.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.019 -179.989 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -94.18 109.03 20.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 108.297 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.787 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.5 p90 -128.96 163.46 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -65.61 162.69 40.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.98 117.45 4.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.517 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.6 tt -33.2 130.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.954 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.489 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -69.98 57.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.943 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.516 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -41.18 102.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.329 179.982 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.07 -42.6 3.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.38 152.59 26.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.6 m -44.44 137.75 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.293 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 t -46.41 141.88 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 -179.993 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.5 p90 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 -179.996 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.46 178.8 7.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -116.99 172.19 7.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 p -173.45 144.62 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.0 10.14 3.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.7 -37.38 8.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 109.236 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -95.56 114.54 26.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.987 -179.952 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . 39.09 -157.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 62.22 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -64.07 -38.44 91.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.336 179.986 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.7 45.52 1.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.31 -179.978 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.46 53.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.549 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.95 151.4 41.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.56 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 1.18 8.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.593 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 87.79 -27.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.93 5.85 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -129.58 20.55 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.802 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -76.47 133.31 39.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.56 -8.04 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 54.63 105.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -11.71 60.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 108.253 -179.956 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.5 80.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.137 . . . . 0.0 111.045 -179.951 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.683 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -146.36 146.4 27.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 0.0 111.008 -179.963 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.483 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.0 -87.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.427 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -56.61 85.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 -179.947 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.535 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.1 m -115.12 120.75 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.582 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -138.93 173.13 5.52 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 35.3 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -172.79 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.88 -36.07 56.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.525 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.61 -25.2 49.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.466 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.2 m120 -96.36 -0.1 49.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 11.6 t30 -97.89 -45.73 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.683 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -53.56 -35.2 60.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.23 71.96 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.8 -157.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.8 m -122.75 148.45 45.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.271 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.8 t80 -116.74 174.36 6.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.2 t70 -179.83 146.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.591 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.3 p -138.57 13.62 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -60.4 -45.92 91.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.235 -179.98 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.479 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -144.77 134.33 11.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -36.47 2.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.528 1.804 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.49 -46.78 2.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.479 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -86.84 170.9 11.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 92.65 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.813 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -32.24 -54.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.2 t -93.55 112.74 24.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.325 179.961 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.802 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -132.37 166.28 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.522 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.2 mttt -68.63 164.72 42.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.07 122.37 7.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.445 1.761 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.6 tt -33.21 135.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -62.43 78.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -44.61 121.36 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.997 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.29 79.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.62 57.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.8 m -124.7 173.39 8.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 108.323 179.979 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.0 t -41.37 135.4 2.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 110.397 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -179.55 67.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -88.79 -179.67 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.538 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 4.3 p -169.25 -143.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.538 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . -144.76 32.98 1.68 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -38.24 99.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 10.3 p 65.58 150.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 84.36 -74.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -55.67 -68.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -52.55 -23.31 6.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.949 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.88 45.39 1.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 108.297 179.95 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.8 52.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.53 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.81 150.12 38.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.573 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.58 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.14 -28.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.48 10.32 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.513 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -133.66 19.22 3.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.823 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.41 134.88 39.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 48.4 t -94.79 -4.63 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 52.85 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -23.32 56.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.302 179.967 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.23 94.16 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 m-85 -139.02 147.9 55.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -76.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.67 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -88.36 83.84 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 -179.998 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.1 m -93.42 138.16 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.626 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.0 p -152.54 172.87 5.05 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.487 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.03 38.43 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.548 ' N ' HD21 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.48 -52.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.596 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.9 tt0 -64.14 -34.58 78.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.626 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.76 -31.39 51.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 108.263 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.548 HD21 ' N ' ' A' ' 29' ' ' LYS . 1.4 m-80 -92.22 0.87 57.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' LYS . 34.7 t30 -102.75 -40.35 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -28.25 63.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.07 73.85 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.095 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.96 -157.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.971 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.4 m -123.42 152.67 41.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.552 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 79.5 t80 -117.44 174.3 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.4 t70 177.92 140.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.595 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.9 p -132.26 15.7 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 -179.928 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -59.49 -48.51 81.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.96 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.494 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.0 135.84 12.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.99 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.05 -37.56 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.555 1.819 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.63 -44.35 1.78 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.494 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -90.43 170.48 10.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 92.97 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.595 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -32.31 -53.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 t -94.28 110.8 22.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.823 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -130.64 162.94 28.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 26.3 mtpt -66.8 165.15 27.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.05 120.13 5.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.429 1.752 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.498 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.3 tt -33.2 139.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.41 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -64.53 75.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -43.21 122.33 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.988 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.43 -68.36 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -93.24 163.43 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -57.45 12.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.5 p -89.14 -56.19 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.55 113.65 22.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.39 170.29 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.9 p -173.51 34.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -123.75 116.04 2.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 37.07 63.5 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.2 p -174.61 121.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 64.14 -84.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -45.86 -27.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.64 -34.29 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.8 m -114.86 46.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.259 179.973 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -115.02 54.95 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.551 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.51 151.35 40.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.961 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.551 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.97 2.36 6.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 86.03 -27.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.02 5.33 41.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -129.08 20.51 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.803 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -76.34 136.14 39.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.8 t -93.29 -5.45 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.466 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.9 t0 52.5 102.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.941 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -10.9 60.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.303 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.66 77.08 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -143.43 145.94 33.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 111.015 179.959 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -78.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.686 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.62 97.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.59 179.982 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.3 m -126.1 123.87 64.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.573 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -138.43 174.07 4.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.432 179.933 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 39.51 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.432 1.754 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.0 OUTLIER -178.05 -47.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.1 OUTLIER -69.18 -40.88 77.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -68.18 -28.37 67.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 108.331 -179.966 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 18.3 t30 -95.67 1.98 53.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -94.45 -39.31 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -63.88 -24.29 67.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.84 71.23 0.51 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.112 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.7 -154.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.2 m -127.81 148.09 50.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.4 t80 -115.57 174.15 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.9 t70 -179.67 145.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.577 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.2 p -134.44 13.27 3.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 ttt85 -58.85 -53.71 55.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.479 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -138.64 135.79 18.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -37.32 2.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.41 1.742 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.72 -47.94 3.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.479 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -84.53 170.77 12.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 93.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.562 1.822 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.577 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.0 m0 -34.46 -53.35 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 7.2 t -95.08 109.3 21.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 108.315 179.998 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.803 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -128.51 165.46 20.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -67.34 163.56 45.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.486 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -74.99 118.87 5.42 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -34.3 130.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.1 85.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.524 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 2.1 pt-20 -62.25 83.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.949 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.91 82.68 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 177.39 -56.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.68 -65.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.2 m 63.08 145.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.396 179.986 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -88.74 -174.36 4.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.58 ' CE1' ' CD1' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -163.11 143.01 8.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.962 179.963 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.3 t -139.03 88.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.956 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 174.88 -32.95 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.58 ' CD1' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -110.45 40.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 179.947 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.2 p -165.0 159.54 18.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -88.05 8.73 25.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -44.52 -35.81 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.475 ' CD ' ' N ' ' A' ' 10' ' ' GLN . 5.6 mm-40 -81.45 -33.57 31.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -114.53 47.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.985 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -111.72 48.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.54 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -89.94 148.58 39.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.95 0.19 9.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.605 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 90.37 -23.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 12.28 21.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.54 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -135.22 16.06 3.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.671 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.0 mmt85 -76.26 114.53 15.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.927 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 89.6 t -78.62 -7.92 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.3 t0 58.47 115.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.49 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -84.12 -19.1 34.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.998 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.16 91.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 15.0 m-85 -136.84 145.89 52.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 111.046 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -77.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.459 1.768 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.652 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -85.96 82.49 8.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.976 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.3 m -92.45 138.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.3 p -151.36 172.67 5.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.594 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.04 39.36 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -178.88 -55.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.604 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.1 tt0 -59.5 -45.88 90.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -61.68 -37.49 84.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.334 179.989 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 13.7 t30 -89.2 1.53 55.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' LYS . 53.5 t-20 -98.75 -35.96 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -64.38 -28.61 69.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.82 71.41 0.18 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 172.83 -157.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.965 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -123.46 154.03 39.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 27' ' ' THR . 66.6 t80 -117.7 173.87 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.0 t70 -178.18 141.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.579 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.1 p -132.5 16.31 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -60.58 -49.78 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.493 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.44 135.73 12.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.0 -36.82 2.33 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.468 1.773 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.46 -41.12 1.07 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.591 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -94.09 169.93 9.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.03 90.31 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.579 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.24 -57.13 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.407 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 3.7 t -89.97 117.68 28.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.671 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.4 p90 -139.87 165.51 27.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.2 mttt -67.17 163.21 47.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 123.56 7.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.501 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -34.77 131.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.43 73.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.262 -179.964 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 52' ' ' LEU . 6.2 pt-20 -41.6 123.64 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 57' ' ' CYS . . . -154.32 123.94 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -48.68 94.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' ALA . 8.5 t -176.64 -62.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.0 p -46.89 -31.84 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.4 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.995 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -54.55 173.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.992 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -140.48 152.12 45.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 5' ' ' GLY . 11.6 m -115.58 -155.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' N ' HG21 ' A' ' 4' ' ' VAL . . . 133.39 -6.73 4.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.441 ' CA ' ' OE1' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -125.4 48.07 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.331 -179.979 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 2.0 p 179.16 107.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 85.34 -47.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -68.41 -54.39 17.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.447 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 2.6 pt20 -64.2 -26.2 68.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.447 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -117.01 47.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.277 -179.997 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -110.35 45.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.539 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -86.14 146.64 43.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.576 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 -0.36 9.87 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.664 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.41 -15.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.72 6.39 48.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 3.4 t70 -132.68 20.03 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.664 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 11.8 mmt85 -75.54 120.55 21.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 91.6 t -83.14 -11.0 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.4 t0 58.53 115.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.38 -19.87 45.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 108.246 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 66.99 90.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.5 m-85 -140.17 146.86 47.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -69.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.628 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -91.45 84.38 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 179.994 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.5 m -97.27 133.25 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.556 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -148.51 170.25 7.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.05 38.46 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -176.68 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.605 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.0 tt0 -80.49 -36.45 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.45 -31.79 60.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.252 -179.96 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.648 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.1 p30 -87.86 -3.1 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 24.0 t30 -100.97 -40.5 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.607 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.7 -28.69 57.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.27 73.64 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.5 -158.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.969 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.79 152.72 36.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.3 t80 -118.41 173.54 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.553 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.9 t70 -178.11 143.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.594 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.6 p -134.15 15.12 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -50.9 72.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.494 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.77 137.0 13.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.1 Cg_endo -75.07 -37.05 2.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.95 -43.38 1.29 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.585 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -91.95 169.28 11.34 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 0.794 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 90.84 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.538 1.809 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.594 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.9 m0 -29.49 -55.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.2 118.81 30.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 108.286 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.645 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -140.93 168.16 20.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.5 mttt -71.43 164.07 60.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 125.72 9.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.787 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 51' ' ' PRO . 2.0 tt -33.75 142.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.99 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.47 70.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' LEU . 1.2 pp20? -42.18 121.22 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -173.58 -55.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.77 115.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -158.94 87.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 108.32 -179.989 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.2 m 59.93 78.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.87 137.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 179.959 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -175.09 103.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 111.005 179.933 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -169.98 51.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.24 113.77 3.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.73 27.15 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 25.5 p -147.59 123.41 10.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 79.93 -77.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -46.2 -32.23 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.7 tt0 -82.56 -35.4 27.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -114.38 47.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 -179.942 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -110.89 46.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.52 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.43 147.63 47.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.961 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.563 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.06 1.98 7.17 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.682 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.42 -17.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.26 9.34 40.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.13 18.38 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.682 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 10.1 mmt85 -75.29 119.99 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 20' ' ' ASP . 47.6 t -79.96 -9.41 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.7 t0 54.93 106.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -9.46 58.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 179.967 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.91 86.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -150.32 147.43 21.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.94 -80.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.709 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.57 97.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.53 -179.975 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.2 m -125.4 123.69 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.606 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -139.12 176.64 2.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.97 35.93 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -177.01 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 0.4 OUTLIER -68.43 -37.51 80.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.548 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -73.5 -27.44 61.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 20.9 t-20 -94.98 1.58 55.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -93.0 -39.52 11.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.61 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -63.03 -25.77 68.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.83 70.82 0.47 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.75 -154.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.965 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.0 m -125.86 150.18 48.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 108.304 179.988 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.3 t80 -117.81 173.86 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.568 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.8 t70 -175.72 147.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.577 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.0 p -137.48 11.88 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.984 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -59.74 -52.11 66.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.481 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.75 134.23 14.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -36.05 2.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.94 -46.12 2.26 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.591 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -87.14 171.25 10.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 90.4 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.577 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.2 m0 -30.33 -57.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 179.998 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.449 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.5 t -89.54 120.46 30.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.293 179.984 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.659 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.6 p90 -142.71 166.98 23.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 19.5 mtpt -70.52 165.93 40.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.93 128.14 11.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.437 1.756 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -36.4 137.13 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.82 80.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.8 pt-20 -44.82 121.94 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.29 112.52 4.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -42.73 136.62 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -125.21 105.8 9.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.4 m 62.66 -83.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 179.979 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.1 t80 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.982 . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -127.39 156.31 42.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.944 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -69.13 169.42 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.7 p -174.28 50.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.07 108.72 2.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' CA ' ' OE1' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -125.05 63.25 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 2.7 p 169.81 115.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . 84.28 -61.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -56.19 -56.21 23.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.44 ' OE1' ' CA ' ' A' ' 6' ' ' LEU . 4.2 pt20 -63.23 -28.02 69.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.426 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 2.3 m -116.3 47.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 -179.949 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -117.32 51.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.544 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.69 150.75 41.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.544 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 2.96 6.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.604 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 85.83 -27.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.81 5.76 38.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.519 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -130.21 21.15 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.799 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -76.57 130.88 38.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' ASP . 4.3 t -87.53 -7.09 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t0 54.14 105.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -11.67 60.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.286 -179.975 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.15 76.29 0.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.159 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -143.34 144.88 29.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.985 -179.96 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -79.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.695 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -64.65 96.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.619 179.954 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.51 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.9 m -126.38 125.8 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.593 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.74 173.17 5.35 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 -179.966 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 39.94 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.01 -47.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.36 -40.44 74.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.4 -28.32 64.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 108.311 179.998 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -93.88 -1.29 55.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -96.26 -41.26 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.606 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.53 -23.36 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.91 72.91 0.61 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.16 -153.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 13.8 m -127.53 147.55 50.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.269 179.998 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.0 t80 -116.22 174.31 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.0 t70 178.98 144.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.594 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.8 p -135.8 16.43 3.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -47.77 77.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.433 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -141.33 133.3 13.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.96 -38.41 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.47 -44.58 2.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -87.26 170.3 12.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 92.7 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.594 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.3 m0 -33.55 -53.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.015 179.959 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.487 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.9 t -95.15 110.57 22.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 108.33 -179.995 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.799 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -129.34 168.83 15.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.947 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -71.03 162.94 69.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.97 120.02 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.5 tt -34.69 135.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.88 81.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -52.7 106.28 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.969 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -129.15 124.93 35.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -55.69 145.77 22.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.4 m 66.69 143.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 179.978 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -49.35 -61.64 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 110.373 179.993 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.8 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 -179.955 . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.33 -63.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.247 -179.997 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -178.82 118.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 30.2 t -129.44 158.8 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.402 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . 179.11 -35.86 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.93 47.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 33.8 p -120.92 -55.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.716 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 163.95 -29.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -40.8 -48.61 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.2 mt-30 -76.9 -36.23 56.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -109.84 46.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 108.292 -179.98 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.716 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -109.68 46.74 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.539 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -89.56 147.89 38.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.596 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 -0.42 9.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.614 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 91.14 -23.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.97 9.93 31.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.539 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -133.3 17.34 4.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.4 mmt85 -75.77 119.83 20.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -83.7 -9.55 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 59.47 119.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.2 -20.41 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.58 90.73 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.4 m-85 -139.76 147.62 52.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.626 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -91.62 85.76 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.595 -179.972 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.4 m -97.85 128.24 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.7 p -141.53 170.42 9.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.597 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.5 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.74 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.613 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -78.11 -37.02 47.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.982 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.534 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -73.94 -29.52 62.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 179.971 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.46 HD21 ' N ' ' A' ' 29' ' ' LYS . 2.1 m-80 -90.02 -3.56 57.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 28.7 t30 -101.06 -40.68 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.588 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.23 -27.05 43.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.71 72.97 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.53 -158.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.97 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.06 153.59 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.8 t80 -118.56 173.87 6.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.1 t70 -178.39 144.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.587 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.6 p -135.99 15.54 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -48.14 82.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.82 137.11 12.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 -37.46 2.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.45 -45.78 1.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.582 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -89.4 169.03 13.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.355 179.973 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 91.04 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.26 -55.99 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.05 118.31 30.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.998 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 9.1 p90 -140.48 167.98 20.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -71.65 163.0 69.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.01 124.56 8.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.511 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.6 tt -31.49 136.52 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.15 76.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.8 pt-20 -43.69 118.01 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.51 67.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -162.19 149.86 14.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.6 t -125.67 -66.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.309 -179.936 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.8 m -72.79 -64.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.372 -179.988 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.987 . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.16 127.27 53.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.947 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -166.73 131.16 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -144.51 136.87 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.406 ' HA3' ' NE2' ' A' ' 10' ' ' GLN . . . -140.03 11.83 3.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' CD1' ' HB2' ' A' ' 8' ' ' ALA . 3.3 pp -88.92 -170.87 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.0 p -102.8 91.26 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.479 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . 178.83 -75.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.956 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -43.37 86.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.4 mt-30 -75.82 -29.04 58.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.26 43.34 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -114.87 53.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.0 151.08 40.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.563 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.0 1.16 8.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.586 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.12 -26.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.57 6.99 35.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -131.04 20.92 4.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.819 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.3 mmt180 -76.16 138.08 40.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 20' ' ' ASP . 69.3 t -96.68 -3.66 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.466 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 7.3 t0 49.69 99.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.19 -24.68 62.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.52 93.48 0.05 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.064 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.4 m-85 -138.07 147.39 55.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.538 0.787 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.626 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -89.82 84.09 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.634 179.933 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 21.8 m -94.1 139.06 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.645 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.9 p -151.44 173.65 4.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 36.22 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 33' ' ' ASN . 4.8 tmtm? -177.6 -53.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.543 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -61.83 -32.26 72.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.645 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -78.35 -39.98 37.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 108.319 -179.973 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.65 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.2 p30 -85.1 1.66 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LYS . 5.0 t30 -105.42 -36.5 7.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -25.44 66.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 123.8 70.6 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.83 -156.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 180.0 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.2 m -123.33 153.6 40.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.618 ' CD1' ' O ' ' A' ' 27' ' ' THR . 72.4 t80 -117.45 174.26 6.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.2 t70 179.81 141.16 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.577 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.5 p -130.2 13.81 5.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -53.31 59.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.512 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.91 137.45 16.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.94 -38.08 1.78 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.039 179.962 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.15 -46.57 1.89 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.512 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -87.84 170.8 10.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 93.93 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.577 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -33.69 -51.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.954 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 t -95.31 111.7 23.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 -179.988 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.819 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -132.18 162.21 31.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.3 mtpt -66.37 164.96 26.52 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.04 120.07 5.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.464 1.77 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' A' ' 54' ' ' GLU . 2.3 tt -35.35 125.54 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.494 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -69.31 56.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.975 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.555 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 5.1 pt-20 -48.57 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 53' ' ' GLN . . . -124.11 169.91 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -91.84 168.14 11.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -57.21 175.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.351 179.97 . . . . . . . . 3 3 . 1 . 054 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.9 m 60.64 -83.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.434 -179.993 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' CYS . 32.6 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -91.37 176.02 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -66.93 153.89 42.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -166.45 102.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.29 106.92 0.29 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.523 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -107.08 11.17 29.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.73 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.5 p -143.4 158.72 43.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.013 179.956 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 62.83 -86.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -45.21 -33.44 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 4.7 tt0 -81.97 -34.45 29.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.8 m -114.59 47.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 108.291 -179.999 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -115.29 55.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.552 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.32 151.52 40.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.552 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 1.91 7.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.809 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.605 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 86.73 -27.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 3.92 46.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -128.1 21.58 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.801 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -77.07 135.21 38.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 1.6 t -94.15 -8.16 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.0 t0 54.65 105.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -13.47 61.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.75 78.54 0.12 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.694 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -145.52 146.78 30.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.971 -179.969 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.02 -86.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.99 85.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.958 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.547 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.6 m -113.85 118.92 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.571 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -137.57 173.09 5.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.965 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 37.0 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.757 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.0 tmtm? -174.5 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 3.3 tt0 -77.18 -37.52 53.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.958 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.93 -27.85 60.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.931 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -94.11 -1.47 54.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.8 t30 -95.02 -44.95 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.694 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.5 -34.97 62.6 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.48 69.99 0.19 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.98 -157.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.97 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.1 m -122.44 147.94 45.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.247 -179.948 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.1 t80 -116.66 173.51 6.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.6 t70 -178.63 148.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.587 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 86.3 p -138.51 13.77 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -49.54 77.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -141.81 135.05 14.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.967 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.35 -46.64 2.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -86.43 170.43 12.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 92.87 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -32.6 -54.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.014 179.97 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.4 t -93.67 111.03 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 -179.999 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.801 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -130.68 165.59 22.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -67.57 164.78 35.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.0 121.72 6.76 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.513 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.3 tt -34.94 128.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.16 78.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.5 pt-20 -50.36 114.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.965 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -160.95 179.63 8.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -116.98 89.67 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.9 t -108.11 -95.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 108.3 179.983 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.9 p -118.38 150.88 38.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.3 p90 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.96 . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.46 177.13 7.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -150.45 147.83 28.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.7 p -174.57 176.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.953 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.484 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . 160.31 -112.02 0.51 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER 34.34 86.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 0.786 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 2.8 p 162.47 -27.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -164.83 -45.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.64 -49.97 75.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -36.36 82.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.0 47.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 108.289 179.985 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -100.25 40.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.523 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -92.02 153.09 43.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.03 -59.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 161.16 -23.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 0.87 57.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -118.29 12.04 13.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.756 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.8 mmt85 -76.85 106.04 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.5 t -66.53 -12.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.519 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 51.2 t0 60.01 116.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -14.59 56.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 108.341 179.986 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.91 70.15 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -137.61 143.64 41.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.561 0.801 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -81.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.734 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -64.08 96.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.637 179.971 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 48' ' ' CYS . 18.6 m -126.17 136.33 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.634 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 10.1 p -143.36 170.92 7.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.06 36.09 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.97 -48.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 3.1 tp10 -67.78 -29.92 69.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.634 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -81.45 -28.74 34.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.995 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.74 3.0 56.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -104.07 -36.2 7.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.58 -27.47 68.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.73 70.73 0.27 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.134 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.96 -155.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.991 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -126.4 154.55 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 61.5 t80 -120.68 175.09 6.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.582 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 7.9 t70 179.3 143.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -135.95 15.42 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.15 -40.27 97.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.477 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.2 130.45 6.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -29.72 7.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.51 -28.23 4.76 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.946 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.541 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -104.76 172.07 4.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.04 88.77 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.1 m0 -31.49 -55.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.986 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.506 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.8 t -93.47 110.29 21.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.342 179.987 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.756 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.8 p90 -131.28 165.8 22.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.6 mttt -63.62 161.85 32.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.96 125.42 9.34 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.461 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -37.37 130.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.12 78.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.0 pt-20 -54.12 106.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.241 -179.974 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.61 40.0 1.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 48.79 96.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.953 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.552 ' O ' ' CG2' ' A' ' 58' ' ' THR . 1.9 m -75.39 -68.98 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.552 ' CG2' ' O ' ' A' ' 57' ' ' CYS . 8.7 t 55.14 162.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' THR . 3.9 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 170.37 161.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.983 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -72.76 90.71 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.2 t -152.91 127.5 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.446 ' O ' ' NE2' ' A' ' 10' ' ' GLN . . . -125.07 -1.42 8.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.418 HD11 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -109.46 179.75 4.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 p 77.59 -162.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.038 -179.997 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -62.71 -35.52 80.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 8' ' ' ALA . 4.4 t30 -36.52 -31.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -87.36 -48.26 8.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.96 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -111.78 47.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 179.985 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -113.77 51.23 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.527 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.89 149.75 40.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.985 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.56 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.95 1.79 7.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.567 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 87.8 -25.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.94 10.14 22.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.24 20.11 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.796 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -75.79 126.09 30.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' ASP . 43.7 t -87.34 -3.35 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.483 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 3.1 t70 39.85 91.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -16.22 64.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.996 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.91 103.07 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 19.2 m-85 -142.07 145.23 35.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -82.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.609 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -82.17 83.17 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.657 179.98 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.7 m -92.33 138.76 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.564 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.1 p -152.57 170.01 8.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.606 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 39.34 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.92 -43.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.609 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.7 tt0 -73.61 -42.2 61.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.8 -34.42 76.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.29 -179.979 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -86.35 -4.66 59.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 19.8 t-20 -98.46 -39.95 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.583 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -58.17 -23.28 54.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.47 73.16 0.5 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 172.79 -155.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.996 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -125.59 149.06 48.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.606 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.6 t80 -115.4 173.66 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.55 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.1 t70 -177.66 141.73 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.565 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.7 p -132.38 14.87 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -49.44 77.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.485 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.06 134.07 13.52 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -36.04 2.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.16 -46.89 3.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -86.73 171.14 10.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.542 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 92.34 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.565 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.47 -52.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.989 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.419 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.5 t -93.69 126.97 39.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 108.328 -179.982 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.796 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -149.2 164.5 34.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -65.63 163.6 33.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.0 122.84 7.46 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.3 tt -35.04 129.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.38 77.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.8 pt-20 -48.88 115.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -160.15 51.42 0.31 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 38.86 43.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 179.966 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.82 174.84 8.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 108.326 179.973 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 t -174.8 167.4 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 -179.983 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.991 . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 64.05 128.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 179.969 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.96 -163.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.1 p -153.38 76.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 10' ' ' GLN . . . 137.19 -12.62 3.83 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.413 HD21 ' N ' ' A' ' 7' ' ' SER . 0.3 OUTLIER -57.98 137.61 56.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.413 ' N ' HD21 ' A' ' 6' ' ' LEU . 3.9 p 75.9 -154.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -91.11 17.94 7.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -42.15 -48.79 4.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.73 -35.9 79.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.236 -179.955 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -106.39 43.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.967 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -103.6 44.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.563 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -96.49 157.24 35.73 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.563 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -59.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.592 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 160.0 -25.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 -8.13 52.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.456 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -109.29 14.37 23.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.796 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 3.5 mmt180 -77.49 104.62 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.8 t -62.33 -14.3 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.505 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 64.9 t0 59.79 115.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.58 -10.11 59.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 108.328 -179.994 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.96 70.54 0.89 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -136.68 144.08 45.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -81.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.711 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.87 97.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.563 -179.977 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 21.4 m -126.75 134.59 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.721 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 11.6 p -142.76 169.36 10.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.02 36.54 0.44 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.31 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.512 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.34 -26.91 62.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.721 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -82.01 -28.87 32.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.325 179.986 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.409 HD21 ' CA ' ' A' ' 29' ' ' LYS . 2.0 m-80 -92.44 4.73 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -103.76 -35.14 8.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.58 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.63 -28.21 69.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.981 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.46 70.84 0.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.045 -179.953 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.32 -155.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -126.08 155.54 41.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 65.0 t80 -120.97 175.21 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 24.1 t70 178.43 143.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.615 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.7 p -134.36 13.71 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -43.46 95.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -148.39 131.52 8.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 -35.48 3.13 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.09 -25.45 1.05 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -105.46 171.37 4.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 0.0 109.285 -179.931 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 89.46 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.615 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.7 -53.91 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 108.022 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.4 t -94.59 109.09 21.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 108.328 179.947 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.796 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 3.7 p90 -129.47 165.89 20.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 6.0 mttt -65.18 161.5 48.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.96 123.69 8.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.3 tt -38.19 127.86 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -61.08 80.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.924 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.81 61.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.954 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.02 -64.29 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -174.88 148.31 1.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.5 p -91.23 115.03 27.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.35 179.998 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 m -130.47 -63.35 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.97 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 40.15 91.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -111.45 125.45 53.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.48 124.24 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.69 6.88 4.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.07 139.46 42.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 p 78.12 123.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 179.974 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 68.4 -74.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -49.91 -38.7 37.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.456 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.9 tt0 -78.46 -28.53 46.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 49.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.326 179.983 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -112.74 50.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.528 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.29 148.68 41.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.579 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 0.73 8.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.63 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.82 -21.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.7 12.53 23.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.509 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -136.11 16.59 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.673 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.0 mmt85 -75.85 118.96 19.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.6 t -82.27 -9.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 57.23 110.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -19.6 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 108.316 179.988 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.2 93.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.8 m-85 -139.54 147.05 50.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -73.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -89.48 85.62 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.618 179.959 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.564 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 21.5 m -96.5 139.11 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.608 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.2 p -151.53 172.92 4.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.613 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 38.35 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.11 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.599 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -60.08 -44.16 94.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.558 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -65.07 -41.14 95.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 180.0 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -82.0 -2.45 51.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.358 179.977 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LYS . 49.5 t-20 -101.09 -36.06 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.54 -27.07 67.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 -179.99 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.2 70.55 0.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 169.95 -157.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -179.955 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -121.14 154.13 36.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.282 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.613 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.7 t80 -118.34 174.74 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.8 t70 -178.68 142.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.578 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.5 p -133.85 15.83 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -49.21 78.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.492 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.94 135.07 11.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -35.5 3.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.41 -42.81 1.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.599 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -92.69 170.89 8.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.55 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 91.87 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.578 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.2 m0 -31.02 -56.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 107.988 -179.973 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 t -89.92 118.44 29.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 108.264 179.984 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.673 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.4 p90 -140.65 165.32 27.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.939 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.519 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.1 mtpt -67.27 165.02 31.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -74.97 126.78 10.21 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -35.55 144.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 059 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.62 76.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.2 pt-20 -45.58 113.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -142.94 70.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 45.39 68.65 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.242 179.984 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 53.61 177.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.336 179.982 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.8 m -86.34 143.35 27.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.398 -180.0 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.972 . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.87 96.24 2.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -76.2 153.67 35.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 p -150.26 157.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -155.94 -105.08 0.23 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.526 ' O ' ' CB ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -39.25 145.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 2.1 p 87.27 96.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 179.961 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . 39.35 -150.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.03 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 8' ' ' ALA . 4.3 pt20 -66.14 -38.74 88.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.951 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.7 OUTLIER -113.32 44.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.321 179.985 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.65 42.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.509 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.02 147.66 58.42 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 2.36 6.71 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.647 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.33 -18.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.3 11.0 31.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.5 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.11 17.24 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.663 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.5 mmt85 -76.02 119.01 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 55.4 t -82.85 -8.1 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.1 t0 57.45 112.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -21.66 40.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 108.279 -179.958 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 68.83 93.11 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.8 m-85 -138.42 146.74 52.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -78.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.67 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -85.64 81.53 8.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.582 -179.98 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 19.7 m -90.35 140.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.623 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.9 p -152.59 173.2 4.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.607 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 37.01 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -177.76 -53.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.6 tt0 -62.0 -33.76 74.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.623 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.72 -38.17 47.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.645 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.8 p30 -88.89 5.65 42.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LYS . 11.6 t30 -107.78 -38.07 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.95 -27.43 66.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 127.02 72.13 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 -179.981 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 168.94 -157.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.98 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.452 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.7 m -122.39 155.2 36.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.953 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.607 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.2 t80 -120.13 174.51 6.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.1 t70 -178.22 145.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.605 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.7 p -134.73 12.4 3.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 -179.974 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -51.63 68.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.484 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.7 137.06 13.32 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.92 -35.95 2.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.51 -42.94 1.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.587 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -92.36 169.99 9.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 90.64 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.605 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.2 m0 -29.81 -56.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 108.032 179.993 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 t -89.78 118.74 29.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.323 179.968 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.663 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.1 p90 -141.6 166.76 23.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.5 mttt -71.64 164.08 60.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.03 124.59 8.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.494 ' C ' ' O ' ' A' ' 51' ' ' PRO . 2.2 tt -32.9 141.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.66 73.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 179.939 . . . . . . . . 3 3 . 1 . 060 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 52' ' ' LEU . 1.1 pp20? -40.26 123.94 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.25 57.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 39.8 85.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 p -53.81 135.25 42.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 108.284 -179.994 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.6 t -38.85 143.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.1 168.46 19.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -89.77 135.33 33.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.66 94.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.96 107.26 1.95 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.515 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -93.04 13.3 21.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 9.4 p -160.58 133.92 6.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 84.28 -62.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -59.0 -54.55 45.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -63.29 -28.63 70.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.95 46.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.312 179.968 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.03 43.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.558 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -85.86 147.37 45.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.579 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 -0.52 10.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.628 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.45 -18.28 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.81 7.53 45.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.533 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 3.8 t70 -133.05 19.41 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.0 mmt85 -76.22 99.23 4.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' ASP . 39.1 t -63.14 -15.46 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.504 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.3 t0 56.11 112.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.43 -15.67 42.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 108.279 -179.995 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.13 102.78 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 20.3 m-85 -141.99 145.27 35.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -85.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.618 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -79.3 81.06 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.592 179.987 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 19.8 m -89.58 137.59 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.587 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.7 p -151.74 171.58 6.41 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.596 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 40.07 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -179.86 -46.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -68.8 -43.34 75.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -66.19 -31.98 73.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.995 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 14.0 t30 -92.4 -0.53 57.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 11.3 t-20 -96.56 -39.38 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.23 -24.7 67.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.59 75.09 0.44 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.44 -159.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -123.28 149.45 44.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.8 t80 -115.58 173.7 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.556 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 2.1 t70 -177.65 142.84 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.589 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.8 p -132.88 12.01 4.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -50.45 72.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.485 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.35 136.54 13.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.96 -35.72 3.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.36 -46.48 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.572 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -88.48 170.06 12.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.592 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 89.54 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.592 ' C ' ' O ' ' A' ' 46' ' ' PRO . 6.5 m0 -27.89 -56.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.966 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.6 t -89.21 128.36 35.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 108.249 -179.965 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -151.44 163.6 38.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 19.7 mtpt -65.63 164.97 21.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.06 123.37 7.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 54' ' ' GLU . 1.9 tt -34.07 125.97 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.486 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -68.94 58.51 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 061 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.562 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 1.6 pm0 -37.25 119.62 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.64 93.1 2.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 -179.961 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.98 -62.08 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.3 m -43.13 126.55 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.31 -179.983 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.2 t -116.79 165.95 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.389 -179.952 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.35 120.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -77.9 114.05 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.2 p -179.19 98.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.5 107.83 0.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.47 -60.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.0 p -117.71 153.18 33.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 75.74 -74.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -50.86 -41.25 57.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -74.93 -30.91 61.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.983 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.08 45.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.976 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -96.57 45.86 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.583 HG22 ' CE1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -100.04 149.87 36.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.53 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.531 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 161.16 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 179.976 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.44 6.38 47.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' OD2' ' CG1' ' A' ' 13' ' ' VAL . 12.3 t0 -123.92 11.25 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.744 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.6 mmt85 -76.56 114.42 15.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -80.48 -10.67 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 59.1 117.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.31 -21.34 29.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.19 91.19 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CE1' ' HG2' ' A' ' 34' ' ' ARG . 9.2 m-85 -138.76 148.99 60.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -73.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.6 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -91.31 87.45 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.617 -179.999 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.2 m -99.15 137.33 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.575 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.5 p -150.69 172.01 5.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 39.02 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.73 -48.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.6 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.2 tt0 -69.12 -41.06 77.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.575 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -68.44 -40.5 81.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.98 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -81.09 -4.42 55.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 20.0 t30 -100.56 -37.86 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.588 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 4.1 tpt85 -58.56 -26.73 63.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.8 72.11 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.19 -158.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.963 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -119.88 152.13 37.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.9 t80 -116.19 173.37 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.3 t70 179.5 139.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.593 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.8 p -132.2 17.45 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.097 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -59.78 -43.85 94.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.437 HD12 ' HB2' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -150.3 133.82 8.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' N ' ' HE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -75.02 -30.62 6.93 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.33 -30.95 4.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.552 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -103.96 171.78 4.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.956 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.548 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 89.98 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.593 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.7 m0 -31.26 -56.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 107.99 -179.993 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -92.58 113.15 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.987 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.744 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.3 p90 -133.39 166.12 23.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -62.11 164.06 11.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.529 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.95 123.54 7.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.529 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -30.62 127.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.13 39.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.0 38.62 4.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.82 62.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.7 110.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.959 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.68 -63.39 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 108.342 179.991 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.1 m 59.54 155.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.999 . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -168.6 99.24 0.41 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -133.63 102.49 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 p -168.25 49.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.17 110.29 3.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pp -126.94 159.28 34.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.519 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 15.4 p 64.63 101.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 85.37 -52.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.9 m-80 -55.88 -58.77 6.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.431 ' HG3' ' SG ' ' A' ' 37' ' ' CYS . 5.5 pt20 -68.26 -23.11 64.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -114.14 43.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 -179.963 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -112.19 47.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.563 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -87.03 148.83 46.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.546 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.04 0.81 8.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.595 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 86.82 -15.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.45 3.77 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.533 ' O ' ' CG ' ' A' ' 17' ' ' ASP . 5.5 t0 -132.02 23.57 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -74.94 128.76 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 20' ' ' ASP . 39.8 t -84.24 -7.74 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.473 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 59.4 t0 52.27 104.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -10.99 60.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.985 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.82 81.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.685 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -145.89 146.83 30.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.75 . . . . 0.0 111.036 179.977 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.99 -87.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.07 86.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.612 -179.975 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.536 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.8 m -115.87 119.22 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.564 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -137.93 172.88 6.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.612 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.03 36.59 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -174.39 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -78.9 -36.5 41.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -76.55 -27.8 56.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.244 -179.946 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -94.96 2.61 55.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.239 -179.943 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.8 t-20 -99.9 -44.36 6.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.685 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.59 -35.15 65.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.08 71.45 0.17 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 -157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.975 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 22.4 m -122.98 147.48 46.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.612 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.1 t80 -115.12 173.82 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 2.4 t70 179.46 143.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.609 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.9 p -135.99 18.46 3.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -66.25 -45.27 81.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.413 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.83 132.54 11.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 -37.49 2.01 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.04 -41.71 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.416 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 0.9 OUTLIER -92.31 170.08 9.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 91.75 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -31.49 -53.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 108.0 -179.969 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.9 t -94.49 111.2 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 108.331 179.941 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.6 p90 -131.48 166.3 21.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 18.8 mtpt -72.36 165.88 46.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.556 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.08 122.83 7.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.5 tt -34.14 138.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.436 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -66.06 71.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.321 179.96 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.1 pt-20 -46.45 112.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.19 -64.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -175.63 179.15 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.7 p -66.68 107.47 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 108.3 -179.994 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.63 -35.24 4.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.996 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.995 . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -176.98 165.33 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -107.61 145.06 33.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.2 p -163.79 82.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -128.42 110.19 1.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.66 141.65 51.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 0.718 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.5 p 46.72 60.12 3.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 109.946 179.985 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 171.96 -81.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -49.97 -46.13 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -29.85 65.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.63 47.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -112.14 45.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.524 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.04 148.05 59.38 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.546 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 3.21 5.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.8 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.647 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 86.99 -18.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.11 11.08 31.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -135.01 16.41 3.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.669 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 8.7 mmt85 -76.35 109.17 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 t -75.22 -7.02 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.4 t70 58.29 115.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.22 -22.15 28.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 108.317 179.977 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.22 98.27 0.04 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.96 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 17.9 m-85 -145.07 144.97 25.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.667 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -91.03 85.84 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.591 179.992 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.5 m -98.86 137.94 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 1.7 p -146.84 169.69 9.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 41.56 0.76 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -179.34 -50.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 30' ' ' GLU . 10.1 tm-20 -65.28 -46.6 79.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -62.22 -34.61 76.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 108.291 -179.984 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 7.4 t-20 -88.85 -5.85 57.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 57.9 t-20 -98.26 -39.93 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -57.07 -24.33 53.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.937 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.19 71.51 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.9 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.991 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -125.74 152.66 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.299 179.962 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 67.4 t80 -118.41 175.1 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.572 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 -179.32 143.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.59 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -133.75 14.37 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -50.39 74.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.486 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.2 134.54 12.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -35.48 3.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.93 -41.45 1.94 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.59 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -93.25 170.89 7.98 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 91.76 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.568 1.825 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.59 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -31.57 -56.59 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 107.986 -179.989 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.5 t -90.08 116.32 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 -179.956 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -138.87 166.35 24.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.8 mttt -68.1 163.51 50.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.97 123.9 8.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.517 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.1 tt -32.98 133.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -69.2 69.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.994 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 1.8 pm0 -40.62 121.74 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.89 -66.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.86 -59.89 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.32 131.71 45.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.317 -179.961 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 59' ' ' PHE . 16.9 m -56.68 152.67 11.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 -179.972 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -129.66 123.96 32.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 17.6 t80 52.27 87.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.979 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.5 t -139.23 104.73 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.63 17.33 2.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.529 ' O ' ' CB ' ' A' ' 7' ' ' SER . 0.2 OUTLIER -90.33 105.81 18.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 1.3 p 157.53 -25.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 110.031 -179.971 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.674 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 178.06 -39.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.8 -28.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' N ' ' C ' ' A' ' 8' ' ' ALA . 1.6 pt20 -94.58 -39.6 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -114.79 46.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 108.29 179.99 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.674 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -109.83 41.53 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -84.44 147.1 48.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.528 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.06 4.21 4.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.667 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 85.33 -16.71 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.54 9.35 40.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.68 17.65 3.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.687 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.2 mmt85 -75.75 114.41 14.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -80.36 -7.18 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.94 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' VAL . 5.2 t0 58.73 117.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.958 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.485 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.26 -19.32 31.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.977 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.37 91.07 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 15.6 m-85 -137.42 145.76 50.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -79.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 0.0 110.962 179.999 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.644 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -84.27 81.89 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.597 -179.961 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -91.7 138.41 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.625 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.9 p -152.74 173.13 4.82 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.953 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.465 ' HD2' ' HB ' ' A' ' 27' ' ' THR . 18.2 Cg_endo -75.02 37.66 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.8 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.522 ' N ' HD21 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.84 -53.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.481 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.1 tt0 -63.24 -35.47 80.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -76.39 -30.85 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.331 179.991 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.522 HD21 ' N ' ' A' ' 29' ' ' LYS . 1.2 m-80 -93.43 3.04 56.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' LYS . 18.8 t-20 -104.76 -38.99 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.78 -29.96 67.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.2 73.35 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.437 1.086 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.45 -159.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.998 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.83 155.86 33.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 78.0 t80 -119.09 174.27 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.576 ' O ' ' CG ' ' A' ' 47' ' ' TRP . 19.8 t70 178.48 144.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.614 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.8 p -139.49 17.21 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 179.98 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -63.6 -34.19 77.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.506 HD11 ' CG1' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -155.49 132.46 6.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 -37.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.41 -33.8 0.35 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -100.94 168.47 9.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.591 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 88.76 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 10.5 m0 -27.96 -57.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.99 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 t -89.33 117.47 28.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 -179.99 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.687 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -139.42 165.94 25.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -67.89 162.93 54.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 122.28 7.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.8 tt -33.13 136.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.407 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -65.1 73.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.946 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.1 pt-20 -44.61 119.95 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.3 107.93 3.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -168.09 140.53 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' C ' ' CG2' ' A' ' 58' ' ' THR . 1.3 m 59.02 80.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 108.304 -179.997 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.403 ' CG2' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 39.27 84.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 179.99 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 179.998 . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -115.96 -57.26 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -37.6 119.63 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.517 ' O ' ' CG1' ' A' ' 4' ' ' VAL . 6.2 p -171.35 97.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -61.28 -108.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 5' ' ' GLY . 1.1 pp 37.0 53.07 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.2 p -176.46 -173.22 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -75.99 -28.25 57.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' ALA . 7.5 m-20 -38.43 -30.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 1.1 tt0 -85.32 -48.66 8.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -108.94 46.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.303 -179.988 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.621 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -101.36 41.93 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.532 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -91.76 153.58 43.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.544 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.03 -58.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.547 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 159.65 -22.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.44 -1.89 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.525 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -114.86 11.62 16.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.753 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.3 mmt85 -77.2 110.46 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 20' ' ' ASP . 23.5 t -73.15 -8.86 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.527 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 65.3 t0 59.4 117.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -18.23 46.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 -179.995 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.52 72.63 0.61 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -138.5 145.72 47.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.438 0.728 . . . . 0.0 111.012 179.943 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -79.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.693 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -69.03 99.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 -179.967 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.535 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.3 m -125.19 125.36 69.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.747 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 12.6 p -130.75 168.13 18.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 179.988 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.634 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 36.22 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -175.59 -46.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.3 OUTLIER -73.04 -27.34 61.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.289 -179.949 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.747 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.8 OUTLIER -79.46 -32.53 42.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.293 179.987 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -90.95 1.07 57.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -104.26 -38.81 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.572 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 3.3 tpt85 -58.63 -26.7 64.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 123.72 72.54 0.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.18 -157.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.993 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -123.86 155.71 37.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 108.246 -179.94 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.7 t80 -120.0 175.99 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.578 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 176.89 141.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.602 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.0 p -134.28 15.39 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.011 179.929 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -38.99 89.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -153.38 133.49 7.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -33.97 4.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.58 -37.68 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.537 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -96.09 171.14 6.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.527 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.2 Cg_endo -74.98 92.02 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.602 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.1 m0 -33.43 -54.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.51 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 3.9 t -94.27 108.46 20.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.753 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.6 p90 -129.13 166.32 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.0 mttt -63.42 161.26 35.37 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.472 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.02 124.13 8.38 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -36.28 137.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.4 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -66.59 71.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 -179.989 . . . . . . . . 3 3 . 1 . 066 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 1.3 pp20? -45.47 119.42 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 066 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.75 141.73 14.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.963 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -95.07 -59.63 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 -179.997 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.7 p -119.16 167.97 11.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.337 179.977 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.2 t -147.26 153.72 40.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -154.82 176.54 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 178.33 164.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 m -130.7 -170.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 141.69 -12.61 2.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -119.79 57.75 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.0 p -169.84 -150.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -114.44 19.78 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.97 -55.27 34.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -30.44 71.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -115.6 48.44 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -112.61 45.07 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.524 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -86.49 147.92 45.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.583 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 1.08 8.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.84 -24.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.38 14.59 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -138.46 17.14 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.688 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.25 122.68 24.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 20' ' ' ASP . 62.2 t -82.53 -9.75 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.0 t70 56.65 109.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -10.44 59.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.97 87.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.097 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.707 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -151.97 147.02 19.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.02 -85.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.437 1.756 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -58.97 84.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 109.637 -179.994 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.562 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.1 m -112.65 117.54 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.931 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.579 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -138.7 173.78 4.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.415 179.966 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.616 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 36.46 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -174.31 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.997 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.31 -35.71 40.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -78.07 -26.15 48.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 108.307 179.986 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -96.09 2.84 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.7 t30 -98.87 -44.23 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.707 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.87 -34.77 63.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.41 69.66 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.37 -155.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.5 m -123.49 149.51 45.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.616 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.3 t80 -118.5 173.98 6.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.0 t70 -176.37 147.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.587 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.6 p -137.55 12.5 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -51.06 71.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.498 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.23 135.93 14.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 -36.78 2.38 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.78 -47.13 1.75 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.579 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -86.91 170.04 13.26 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.582 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 89.75 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.9 m0 -28.67 -57.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 108.023 -179.987 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.07 121.01 31.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 -179.981 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.688 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.9 p90 -143.13 165.89 26.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.519 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.9 mtpt -69.9 165.13 45.38 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.03 127.89 11.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -35.19 136.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.25 82.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.77 99.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.987 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -142.71 101.67 3.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -137.42 -58.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.2 m -136.61 146.06 45.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.297 179.971 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.2 m 63.47 159.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 -179.951 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.983 . . . . . . . . 0 0 . 1 . 068 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -173.47 156.16 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.454 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 24.1 t80 -143.44 130.49 20.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 179.941 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 65.7 t -156.11 128.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.28 98.68 0.73 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.88 81.19 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.2 p 176.19 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.693 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -142.67 -63.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 8' ' ' ALA . 30.2 t-20 -36.35 -31.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -88.41 -48.48 7.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.6 m -111.37 47.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.979 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.693 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -113.52 51.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.55 150.4 41.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 3.03 5.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.603 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 85.73 -26.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 6.78 35.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -131.01 20.39 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.803 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -76.18 129.92 37.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.998 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.3 t -86.72 -5.23 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 19' ' ' VAL . 60.6 t0 50.98 103.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -12.57 61.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 108.341 179.972 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.2 77.3 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -143.88 145.98 32.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.453 0.737 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -82.76 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.687 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -62.45 96.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 179.986 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.7 m -126.51 124.15 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.574 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -138.23 173.67 5.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.98 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 38.85 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.43 -45.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.6 OUTLIER -71.44 -38.62 71.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -72.88 -29.33 63.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 -179.993 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -94.05 2.7 55.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.0 t30 -101.62 -39.73 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.561 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -60.92 -23.95 65.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.75 73.69 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.59 -154.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.467 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -126.98 147.99 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 179.988 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.5 t80 -114.62 174.39 5.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.0 t70 177.26 145.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.615 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.7 p -140.13 19.56 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.958 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -33.23 72.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.468 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.94 128.13 4.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -37.87 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.05 -27.87 0.44 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -104.35 170.54 5.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 90.2 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.615 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -32.4 -54.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.016 -179.994 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.456 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.2 t -93.78 111.96 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.803 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -131.99 166.31 21.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -68.53 163.49 53.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.96 124.16 8.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.2 tt -34.38 133.25 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -64.94 73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 068 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 7.9 pt-20 -46.25 116.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.254 -179.962 . . . . . . . . 2 2 . 1 . 068 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.32 -68.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -107.88 155.45 20.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.6 m -64.13 -61.12 2.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 108.289 -179.994 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.9 t -163.61 -49.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 068 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.993 . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 069 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 77.72 -63.37 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 -179.978 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -76.6 102.77 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 p -172.93 103.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -104.44 -10.77 32.82 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.412 ' N ' HD21 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -128.05 109.1 11.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 0.783 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 p 179.22 -36.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.972 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 176.93 -51.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -36.04 -37.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.452 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -78.8 -51.61 9.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -106.13 47.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 108.256 -179.977 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -108.94 43.6 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.508 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -85.55 146.54 44.47 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 2.08 7.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.673 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.84 -18.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.22 10.28 34.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.983 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.493 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -135.44 18.77 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.3 mmt85 -75.9 115.56 15.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.01 -11.48 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.508 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t70 57.73 108.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.21 -8.78 57.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.24 80.08 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -147.57 143.23 17.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -79.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.437 1.756 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.713 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.02 93.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.575 180.0 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.521 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.7 m -126.02 127.97 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.593 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -140.47 175.92 2.83 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -179.997 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.603 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 35.41 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.55 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 0.0 OUTLIER -67.7 -32.39 73.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -82.04 -26.88 33.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 -179.997 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -94.42 0.68 55.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 27.0 t-20 -101.58 -39.17 7.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.605 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.47 -23.58 64.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.971 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.61 75.36 0.6 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.72 -154.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -126.82 150.25 49.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 108.303 -179.957 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.603 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.4 t80 -117.75 174.95 5.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.5 t70 -178.87 143.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.589 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.4 p -135.69 17.06 3.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.979 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -66.03 -48.98 69.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.454 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -141.08 132.84 13.82 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.95 -36.44 2.59 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.6 -43.18 2.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.105 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.585 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -89.69 170.14 11.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 89.67 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.589 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -29.5 -57.82 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.994 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.445 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.6 t -89.86 119.46 30.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -141.58 166.84 23.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.527 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.0 mtpt -70.8 165.47 46.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 127.11 10.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.459 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -35.08 135.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' NE2' ' OD2' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -66.01 71.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 069 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.0 pt-20 -43.24 117.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -170.34 -64.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.338 -179.946 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.92 77.28 0.31 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 069 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.9 m -135.25 -60.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.973 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.8 t -91.5 141.79 28.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 069 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.1 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.996 . . . . . . . . 0 0 . 1 . 070 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -178.44 132.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -39.64 160.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 p -173.12 52.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.59 106.93 0.39 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.915 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -102.37 -101.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER 37.7 -98.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.037 -179.971 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -153.25 21.54 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.79 -58.76 7.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -25.44 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 48.14 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -110.9 45.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -88.09 147.65 41.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.53 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 3.65 5.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.705 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 85.43 -15.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.95 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -97.05 7.22 47.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.43 18.89 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.705 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 10.7 mmt85 -73.96 120.15 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.2 t -80.22 -11.61 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.485 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.8 t70 57.9 108.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -15.33 61.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 -179.98 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.6 79.87 0.1 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.682 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -145.8 146.92 30.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.96 -86.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.89 85.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.62 -179.994 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.539 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.8 m -114.15 118.94 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.504 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.0 p -135.83 172.72 6.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.63 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 36.22 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 27' ' ' THR . 3.2 tmtt? -174.4 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -76.93 -37.4 55.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -75.5 -27.61 58.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.262 -179.948 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.18 2.92 53.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 6.8 t30 -100.59 -42.98 6.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.682 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -57.04 -33.8 67.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.41 72.32 0.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 178.37 -157.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.967 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 m -123.2 148.91 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.325 179.951 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.2 t80 -116.83 174.24 6.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.568 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.0 t70 -178.92 143.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.582 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.0 p -133.2 13.92 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 179.962 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -54.26 48.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.407 ' O ' HD11 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -142.15 138.64 16.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.96 -36.97 2.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.788 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.5 -38.8 1.05 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.549 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -94.85 168.15 11.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.595 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 87.83 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.595 ' C ' ' O ' ' A' ' 46' ' ' PRO . 7.3 m0 -27.47 -57.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -90.0 119.76 30.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 108.329 179.992 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.681 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.2 p90 -141.89 164.47 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -66.98 164.39 35.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 126.33 9.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.473 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.1 tt -35.27 132.55 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -62.61 77.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.354 179.939 . . . . . . . . 3 3 . 1 . 070 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' LEU . 1.4 pp20? -44.04 121.78 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 070 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.58 148.07 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -99.95 96.46 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 58.9 m -106.02 166.54 10.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.312 179.989 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.3 t -63.65 147.02 52.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 110.412 -179.976 . . . . . . . . 1 1 . 1 . 070 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.98 . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 071 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -147.29 164.33 33.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.418 ' O ' ' O ' ' A' ' 2' ' ' GLU . 44.2 t80 53.02 106.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 p -179.8 90.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . 68.83 8.69 57.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.586 ' O ' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.58 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.586 ' O ' ' O ' ' A' ' 6' ' ' LEU . 89.4 p -47.05 -172.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -84.91 40.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.437 ' CB ' HD22 ' A' ' 6' ' ' LEU . 8.4 t-20 -61.75 -47.59 84.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.43 -26.12 61.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.96 45.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.981 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -110.46 47.76 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.541 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -88.43 147.85 40.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.95 2.02 7.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.616 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.5 -18.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.513 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.46 11.85 29.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.85 16.67 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 7.7 mmt85 -76.16 96.77 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 20' ' ' ASP . 66.8 t -62.59 -14.36 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.5 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.8 t0 56.19 111.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.971 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.11 -13.53 49.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.242 -179.982 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.17 102.38 0.04 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 17.6 m-85 -141.58 144.59 33.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.647 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -79.86 81.02 6.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.566 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.2 m -89.52 137.21 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.7 p -150.17 172.42 5.3 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.598 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 39.57 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -178.8 -54.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.953 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.583 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -60.78 -44.81 96.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -63.52 -34.98 78.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 108.252 -179.965 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 12.2 t30 -90.63 0.13 57.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' LYS . 40.5 t-20 -97.96 -37.31 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.606 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -64.83 -21.87 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.33 73.79 0.49 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 -179.967 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.24 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -126.72 150.36 49.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.263 -179.999 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 27' ' ' THR . 64.9 t80 -116.27 174.44 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.4 t70 -177.52 144.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.587 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.1 p -134.29 12.07 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -49.66 76.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.494 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.68 134.73 12.49 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -34.75 3.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.34 -46.95 2.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.58 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -87.83 170.88 10.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.741 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.576 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.01 90.59 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.3 m0 -29.15 -56.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 107.948 -179.972 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.488 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.4 t -89.47 128.02 35.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 108.313 -179.98 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.1 p90 -151.73 165.27 34.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.521 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.1 mttt -67.87 164.13 43.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.95 124.66 8.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.438 1.757 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.7 tt -34.49 129.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.707 ' NE2' ' H ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -67.54 62.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 071 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 52' ' ' LEU . 5.6 pt-20 -36.67 125.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.82 47.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -82.93 64.41 7.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.84 167.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 108.306 179.974 . . . . . . . . 2 2 . 1 . 071 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.2 t -117.44 158.95 23.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.415 -179.977 . . . . . . . . 1 1 . 1 . 071 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 072 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.6 55.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.56 ' CG ' HG21 ' A' ' 4' ' ' VAL . 39.2 t80 -175.75 -87.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.56 HG21 ' CG ' ' A' ' 3' ' ' TYR . 2.9 t -152.03 -133.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.62 40.13 2.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.404 ' O ' ' OG ' ' A' ' 7' ' ' SER . 0.5 OUTLIER -46.79 152.54 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 0.79 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' A' ' 8' ' ' ALA . 4.3 p 77.02 -147.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.113 . . . . 0.0 109.956 179.982 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -96.41 19.49 12.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -48.48 -72.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.459 ' OE1' ' N ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -54.41 -27.86 39.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.266 -179.971 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -105.96 40.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 108.276 -179.978 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -106.53 41.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -80.8 147.23 61.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.579 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.91 1.16 8.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.631 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.79 -18.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.86 9.38 37.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -132.95 16.73 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.0 mmt85 -76.05 112.38 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 61.9 t -76.26 -7.14 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.9 t0 57.63 112.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -82.05 -20.23 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.971 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.04 97.86 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 21.4 m-85 -146.68 140.74 15.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.771 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.558 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.2 82.75 6.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 -179.999 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.7 m -97.14 139.65 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.596 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 7.3 p -149.58 170.96 6.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.42 179.953 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.579 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 35.84 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.23 -49.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.5 OUTLIER -64.85 -33.02 75.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.596 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -79.44 -26.64 41.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.317 179.965 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.471 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -96.51 1.45 51.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LYS . 32.8 t-20 -104.7 -37.16 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.69 -31.05 70.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 129.62 73.6 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 167.09 -158.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.963 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -123.12 155.71 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 108.265 -179.978 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.9 t80 -119.91 174.74 6.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 14.6 t70 -179.34 143.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.605 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.7 p -133.48 13.6 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -57.21 -50.99 71.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.489 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.31 135.41 12.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.97 -35.71 3.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.5 -36.89 0.73 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.576 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -98.62 169.96 7.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.541 0.789 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.572 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 89.88 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.605 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.8 m0 -29.46 -57.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 t -88.65 117.5 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 108.316 179.966 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.9 p90 -140.97 166.37 24.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.518 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.9 mttt -72.03 163.92 63.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 123.27 7.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.505 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.8 tt -32.23 135.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.423 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -59.45 82.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 072 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.2 pt-20 -48.35 119.04 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 072 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -174.0 63.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -117.59 -43.13 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 79.7 m -125.7 164.35 20.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 108.314 179.988 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.7 t -49.45 147.79 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.426 -180.0 . . . . . . . . 1 1 . 1 . 072 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 073 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.26 168.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.457 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 8.7 p90 -98.08 131.28 44.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.1 t -135.5 95.99 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.96 12.59 2.61 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' C ' ' OE1' ' A' ' 10' ' ' GLN . 1.7 pp -100.31 48.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.519 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 2.1 p 171.61 112.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.55 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . 85.5 -57.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -61.72 -52.57 63.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.429 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 2.7 pt20 -65.72 -27.38 68.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.429 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 1.6 m -115.46 46.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 108.258 -179.976 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -117.13 57.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.542 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.21 152.41 39.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.948 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.542 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 2.53 6.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.587 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 85.32 -25.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.05 4.23 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -128.09 20.96 6.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.96 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.785 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.07 135.92 39.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 179.985 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 20' ' ' ASP . 11.5 t -94.13 2.13 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.3 t0 43.69 95.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -23.66 63.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 108.264 -179.984 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.0 96.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.568 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 12.0 m-85 -138.78 150.11 64.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -79.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.628 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -87.8 86.35 7.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 179.972 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -95.22 139.99 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.543 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -152.84 170.86 7.47 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.612 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 40.28 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -178.7 -47.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.628 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -68.72 -44.03 74.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.355 179.961 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -64.73 -39.53 93.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.965 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -81.8 -4.18 55.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.1 t30 -100.14 -37.09 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 5.7 tpt85 -59.62 -27.22 66.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.94 71.7 0.25 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.28 -157.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.963 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.3 m -121.35 151.61 39.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.273 179.988 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.612 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.8 t80 -114.88 173.59 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.6 t70 177.24 140.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.593 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 80.6 p -131.17 17.37 5.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -58.63 -49.18 78.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.426 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.99 134.47 11.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -37.44 2.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.94 -28.21 0.68 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.426 HG23 ' CD1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -104.89 170.63 5.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 91.49 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.593 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.1 m0 -33.87 -52.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 107.988 -179.98 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.45 109.58 21.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.785 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -129.44 164.65 23.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.2 mttt -68.3 164.9 38.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 120.58 6.13 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.535 HD22 ' CA ' ' A' ' 54' ' ' GLU . 2.9 tt -30.19 99.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.498 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -69.31 57.48 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.976 . . . . . . . . 3 3 . 1 . 073 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.535 ' CA ' HD22 ' A' ' 52' ' ' LEU . 2.0 tt0 -158.28 36.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.944 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.1 70.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.6 147.55 15.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.237 179.994 . . . . . . . . 2 2 . 1 . 073 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.5 t 49.88 91.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.272 179.947 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 t -149.44 -48.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 073 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.998 -179.997 . . . . . . . . 0 0 . 1 . 074 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 78.02 89.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -147.29 98.3 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.6 p -174.6 114.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.4 100.47 2.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.39 -44.26 34.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 81.8 p -151.04 100.92 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 167.26 -81.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -51.03 -39.28 55.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.6 mt-30 -77.59 -32.33 53.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.2 42.6 1.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.309 -179.957 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -110.24 43.59 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.528 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -85.37 147.74 47.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.585 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 0.93 8.3 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.689 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 90.31 -21.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.28 12.84 23.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -137.92 18.2 2.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.697 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.7 mmt85 -74.62 118.91 18.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.8 t -74.92 -9.61 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.947 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.544 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 53.4 t0 54.95 104.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -17.36 63.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 -179.997 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.75 73.82 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.541 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -140.51 144.23 35.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.961 -179.953 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -78.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.723 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.62 97.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.598 179.954 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 15.6 m -125.95 128.91 72.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.588 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 5.7 p -134.57 169.94 12.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.98 39.23 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.88 -51.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 3.8 tp10 -64.63 -42.76 95.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.59 -33.02 74.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 108.281 179.996 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -90.61 2.91 55.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -103.18 -35.54 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.541 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.0 -26.62 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.47 71.89 0.24 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.5 -156.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.1 m -125.98 152.71 45.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.265 -179.996 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.645 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 56.1 t80 -117.61 175.71 5.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.607 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 6.7 t70 -178.31 144.87 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.584 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.8 p -135.34 12.18 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -48.94 79.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.49 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.84 134.33 12.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.98 -36.05 2.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.07 -43.9 1.93 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.15 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.576 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -89.44 169.98 11.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 90.07 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.584 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -29.59 -55.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 107.991 -179.968 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.482 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.2 t -91.25 118.92 30.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.295 179.998 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.697 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.3 p90 -141.49 165.91 26.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.532 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.6 mtpt -71.58 165.86 45.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 126.06 9.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' A' ' 54' ' ' GLU . 2.0 tt -35.4 126.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.479 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -69.05 58.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.963 . . . . . . . . 3 3 . 1 . 074 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.554 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 4.6 pt-20 -39.07 117.1 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 179.977 . . . . . . . . 2 2 . 1 . 074 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.39 -45.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.938 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 49.53 75.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.4 t -177.19 65.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.248 179.99 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.4 p -118.93 -58.77 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 074 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.9 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.051 179.971 . . . . . . . . 0 0 . 1 . 075 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -46.12 103.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -176.18 179.52 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 1.4 p -150.79 -154.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.506 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . 120.88 -0.81 11.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.13 -27.0 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.75 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.2 p -107.95 -175.73 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -98.17 23.19 8.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -45.56 -47.56 14.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -30.39 68.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -112.09 45.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.339 179.975 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -108.21 40.71 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.927 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.546 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -82.36 146.32 53.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 -0.07 9.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.712 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.31 -15.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.86 7.29 46.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.968 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.546 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 5.6 t0 -135.47 21.81 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.712 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 12.5 mmt85 -74.76 115.69 14.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.3 t -71.26 -11.31 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.509 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 65.9 t0 55.67 109.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.48 -10.13 59.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.4 73.16 0.43 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -139.05 145.35 44.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.45 0.735 . . . . 0.0 111.016 179.929 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -81.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.761 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.702 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.87 97.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.622 -180.0 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.4 m -126.79 132.0 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.607 ' C ' ' CD2' ' A' ' 38' ' ' PHE . 5.3 p -140.89 170.54 9.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.997 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 38.95 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.77 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 179.953 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.11 -41.58 94.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.02 -32.35 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 108.333 179.965 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.94 2.92 54.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -101.56 -35.56 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.589 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.32 -28.77 69.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.26 71.72 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.57 -156.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.7 m -124.89 153.59 42.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.632 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 51.3 t80 -121.32 175.28 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 8.9 t70 -177.64 145.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.586 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.6 p -135.43 13.3 3.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -47.13 85.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.495 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.88 134.08 11.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 -36.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.71 -45.1 1.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.577 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -87.59 169.61 13.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.05 89.99 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.586 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -29.7 -56.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 108.005 -179.963 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.486 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 3.7 t -90.33 117.92 29.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.288 179.968 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.4 p90 -140.3 165.99 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.552 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.9 mttt -69.51 164.72 47.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.93 124.74 8.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.1 tt -33.18 137.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -64.05 79.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.983 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -68.55 60.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 075 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' GLN . . . -128.95 -68.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.235 -179.955 . . . . . . . . 2 2 . 1 . 075 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 178.54 -177.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.246 -179.988 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.3 m 54.09 96.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 108.297 179.988 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 p -96.34 -58.35 2.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 075 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.62 124.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -153.4 129.69 10.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -167.34 148.45 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -146.26 -103.85 0.38 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.629 ' O ' ' CB ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.08 -169.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 0.755 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.629 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 5.0 p 96.83 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 160.39 -25.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -51.04 -79.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.478 ' OE1' ' CA ' ' A' ' 6' ' ' LEU . 6.6 pt20 -45.15 -32.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' C ' ' O ' ' A' ' 8' ' ' ALA . 3.0 m -107.65 44.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -103.16 42.83 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.551 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -88.69 145.29 34.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.598 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.96 0.79 8.45 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.633 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 90.81 -25.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.51 11.71 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.531 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.37 17.55 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.1 mmt85 -75.23 112.69 11.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 7.0 t -70.26 -11.05 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.499 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 49.9 t0 58.13 115.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -10.25 59.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 108.348 179.949 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.37 77.56 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -144.9 144.98 25.89 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -80.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.699 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.87 95.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 -179.973 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 23.0 m -126.05 126.04 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.591 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.8 173.36 5.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.992 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 39.21 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.59 -46.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.2 OUTLIER -71.18 -38.36 72.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -73.56 -31.97 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 108.307 -179.981 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -91.67 0.26 57.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 11.9 t30 -100.84 -40.31 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -59.35 -23.48 62.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.72 75.1 0.59 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.27 -154.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -125.05 150.06 47.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.5 t80 -118.59 174.15 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 8.3 t70 -178.63 146.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.592 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.6 p -139.02 14.39 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -63.94 -46.19 85.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.486 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.83 133.97 11.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -75.05 -36.83 2.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.52 -46.17 2.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.57 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -86.61 169.42 15.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 076 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.597 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 88.43 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.597 ' C ' ' O ' ' A' ' 46' ' ' PRO . 5.9 m0 -27.49 -57.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.999 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.7 t -90.66 119.3 30.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.29 -179.931 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -141.22 167.56 21.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -70.46 163.7 60.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 124.49 8.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 111.054 179.95 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.522 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.8 tt -34.91 131.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.93 75.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.3 pt-20 -45.82 118.4 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.97 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -160.71 173.93 14.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.77 139.2 55.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.57 75.92 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 108.289 180.0 . . . . . . . . 2 2 . 1 . 076 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.5 t -69.26 157.79 36.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.436 179.955 . . . . . . . . 1 1 . 1 . 076 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 111.038 179.993 . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 077 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.43 161.63 20.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -173.57 130.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 p -174.44 130.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.91 20.55 0.88 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -98.41 124.71 43.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 4.0 p 62.7 133.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 82.7 -73.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -49.61 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CG ' ' HB3' ' A' ' 51' ' ' PRO . 1.4 pt20 -46.31 -33.3 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.09 41.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.349 179.951 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -107.81 40.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.545 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -81.5 148.28 62.01 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.542 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 3.16 5.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.709 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 86.44 -21.51 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -93.68 9.62 36.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.72 18.44 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.709 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 13.9 mmt85 -73.0 119.14 16.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.03 -14.45 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.51 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 59.02 111.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.27 -14.01 61.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 108.328 179.973 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.45 73.04 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -140.88 144.48 35.7 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -76.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.414 1.744 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.709 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -68.88 97.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.626 179.989 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 15.5 m -125.91 130.55 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.599 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.8 p -138.12 171.4 8.4 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.634 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 40.46 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.74 -54.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.466 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 1.4 tp10 -61.24 -43.78 98.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -64.26 -33.11 75.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 108.274 -179.965 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -92.52 4.86 52.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -104.22 -35.01 8.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -64.49 -29.8 70.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.21 69.6 0.14 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 174.24 -158.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -179.951 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.458 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -124.04 154.12 40.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.312 179.985 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 60.4 t80 -119.05 174.72 6.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.572 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 6.2 t70 -179.22 141.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.591 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.0 p -130.34 13.4 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -55.84 27.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.428 HD11 ' O ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -140.94 139.14 18.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 -38.15 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.812 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.61 -39.03 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.525 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -93.82 167.82 13.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 89.65 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.591 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.4 m0 -29.82 -55.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 107.973 -179.973 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.45 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 3.9 t -91.46 119.09 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 -179.985 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.706 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.2 p90 -142.21 167.98 20.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -75.58 164.82 58.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 126.25 9.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.563 1.823 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.507 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.4 tt -32.98 137.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -64.36 74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.976 . . . . . . . . 3 3 . 1 . 077 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.3 pm0 -40.76 126.8 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.949 . . . . . . . . 2 2 . 1 . 077 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.16 64.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.945 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 54.78 84.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 m -138.91 162.42 34.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 108.308 -179.998 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.2 m -93.74 154.6 17.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 077 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 -179.974 . . . . . . . . 0 0 . 1 . 078 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 078 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -174.42 -177.92 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -154.71 166.77 32.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.8 p -175.32 113.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.25 3.84 5.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.06 52.14 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.469 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 9.7 p 169.37 107.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 82.12 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -41.49 -28.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -85.62 -43.57 13.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 078 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.5 m -110.69 47.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.295 -179.983 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -111.49 48.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.546 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -86.94 149.42 47.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 078 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.98 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.26 -23.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.81 9.38 32.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 078 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.528 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -133.14 17.67 4.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 078 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.694 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.19 117.26 16.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 24.5 t -75.76 -10.53 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.523 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 55.2 t0 58.13 112.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.158 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -18.35 60.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.59 72.45 0.66 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -139.53 144.07 38.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.983 -179.988 . . . . . . . . 3 3 . 1 . 078 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -77.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.733 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -68.87 97.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.596 -179.986 . . . . . . . . 3 3 . 1 . 078 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.525 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 15.9 m -124.14 129.69 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.664 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 9.1 p -135.24 171.93 8.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.936 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.642 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 35.06 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.1 tmmt? -177.84 -48.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.491 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.9 OUTLIER -66.44 -26.89 67.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 078 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.664 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -83.57 -34.12 25.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -179.981 . . . . . . . . 3 3 . 1 . 078 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.621 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 17.3 p30 -90.85 4.31 52.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.7 t-20 -106.02 -37.15 6.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.555 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.99 -27.78 68.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.948 . . . . . . . . 3 3 . 1 . 078 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.93 70.69 0.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.33 -156.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.99 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.446 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -125.85 154.44 42.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.354 179.99 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.4 t80 -119.58 176.38 5.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.585 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 12.2 t70 179.11 142.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.59 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.1 p -131.98 13.03 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -53.25 60.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.498 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.36 136.83 16.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 078 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 -36.47 2.51 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.72 -45.76 2.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.582 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -88.15 169.64 13.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.362 179.942 . . . . . . . . 3 3 . 1 . 078 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 92.0 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.59 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -31.45 -56.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.493 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 3.3 t -91.35 115.05 27.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.694 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.5 p90 -136.68 166.09 24.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.3 mttt -67.82 163.85 45.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.96 124.73 8.87 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.576 1.83 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.505 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.5 tt -35.01 130.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.8 78.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.8 pt-20 -47.54 117.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -150.5 82.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -99.6 83.44 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.77 67.27 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.324 -179.972 . . . . . . . . 2 2 . 1 . 078 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.0 m -66.49 -60.93 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.414 -179.98 . . . . . . . . 1 1 . 1 . 078 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 110.953 179.993 . . . . . . . . 0 0 . 1 . 079 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 079 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 173.28 -63.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.951 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.6 t80 179.24 121.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -148.53 126.97 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.346 -179.996 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.26 3.42 6.27 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.582 1.176 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -110.09 46.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 0.725 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.4 p -156.4 -156.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . -61.65 -144.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 54.96 -89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -54.68 -42.35 71.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.2 45.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.273 -180.0 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.85 44.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.547 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -84.19 148.0 52.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.573 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.01 1.16 8.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.551 1.816 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.676 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 89.12 -16.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.07 7.26 46.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.88 19.13 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.704 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.2 mmt85 -74.59 101.62 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.29 179.963 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 5.8 t -61.55 -18.93 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.549 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 57.24 112.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -83.85 -9.76 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 108.344 179.924 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.91 97.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.637 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -156.78 145.39 14.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 111.018 179.949 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.01 -86.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.418 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.14 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 179.973 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 32.5 m -116.36 116.92 53.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.53 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 p -129.11 169.95 11.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.463 179.948 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.654 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 38.3 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.0 -37.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.61 -35.18 39.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -75.13 -28.62 60.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.322 179.969 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -96.1 1.95 52.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.363 179.984 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 3.0 t-20 -101.05 -42.16 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.637 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -58.71 -27.13 64.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.995 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 74.77 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER 174.94 -154.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.7 m -129.81 147.76 51.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.346 179.993 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.654 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.1 t80 -115.66 175.17 5.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 3.0 t70 -178.03 143.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.583 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -133.87 10.68 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -59.45 -49.57 77.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.482 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.82 134.29 13.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.999 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 -36.88 2.31 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.74 -47.44 2.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.575 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -84.88 169.78 15.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 89.62 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.583 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -28.8 -56.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.033 179.99 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.0 t -89.96 126.44 35.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 108.274 -179.99 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.4 p90 -149.28 168.15 24.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.527 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 26.2 mtpt -71.85 165.65 47.72 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 129.17 12.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.459 1.768 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.7 OUTLIER -35.68 137.64 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.404 HE21 ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -64.35 76.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 079 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' LEU . 6.4 pt-20 -41.91 126.78 3.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 079 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -174.79 125.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 58.2 169.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.9 m 74.36 -68.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.292 -179.994 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.5 t -116.24 153.1 32.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.402 -179.967 . . . . . . . . 1 1 . 1 . 079 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.981 . . . . . . . . 0 0 . 1 . 080 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.15 -50.78 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -120.78 106.62 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 1.4 p -131.87 -160.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.401 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . 136.38 -8.3 4.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.12 45.08 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.776 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 54.8 p -169.89 101.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 79.08 -57.95 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -55.0 -29.42 57.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.343 -179.993 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.483 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.0 tt0 -85.82 -36.71 19.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.36 46.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.317 179.999 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -101.32 41.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' CG1' ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -90.06 153.62 47.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HD2' ' CG1' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -59.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 160.74 -23.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 1.62 57.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -119.78 13.22 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.747 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.7 mmt85 -77.12 103.96 7.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.9 t -63.35 -16.65 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.546 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 54.9 t0 57.98 114.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 1.307 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -79.52 -26.03 41.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.27 75.66 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -142.21 144.34 31.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -78.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.802 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.692 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -65.97 96.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.576 -179.987 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.2 m -126.0 125.48 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.657 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 4.3 p -128.0 169.93 11.5 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.442 -179.984 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.647 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 39.26 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -178.5 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.927 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 2.6 tt0 -63.4 -39.06 93.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.657 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.04 -39.1 92.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 108.327 179.979 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -85.67 0.37 52.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -100.88 -36.33 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.603 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -62.85 -20.5 65.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 118.36 70.02 0.36 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 1.307 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER 173.38 -153.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.956 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.46 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -130.0 153.72 48.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.266 -179.941 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.647 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 57.7 t80 -117.34 174.77 5.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.601 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 2.6 t70 -179.79 142.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.587 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.1 p -136.26 16.82 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -68.4 -32.83 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.481 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.57 126.09 3.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.953 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 -32.41 5.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.44 -25.26 1.96 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.56 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 0.8 OUTLIER -106.65 172.64 3.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.546 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.3 Cg_endo -75.05 89.19 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.587 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -32.41 -54.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.459 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.0 t -93.26 115.26 27.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 108.32 179.943 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.747 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.0 p90 -137.68 165.19 26.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 6.1 mttt -63.48 162.7 24.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.02 125.33 9.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -37.22 129.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 080 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 77.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.2 pt-20 -46.07 117.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.415 ' CA ' HG23 ' A' ' 58' ' ' THR . . . -164.85 -54.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -70.76 -64.09 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 179.977 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 90.2 m -86.19 78.14 9.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 -179.997 . . . . . . . . 1 1 . 1 . 080 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.415 HG23 ' CA ' ' A' ' 55' ' ' ALA . 8.7 t -174.28 56.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 080 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.6 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.985 . . . . . . . . 0 0 . 1 . 081 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 64.36 -83.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.462 ' HH ' ' ND2' ' A' ' 9' ' ' ASN . 6.7 t80 -80.36 107.98 13.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 p -179.79 79.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.38 -11.14 54.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.58 ' O ' ' CB ' ' A' ' 7' ' ' SER . 0.9 OUTLIER -114.46 101.14 8.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.963 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 2.6 p 153.11 -174.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.547 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -105.18 13.17 31.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.462 ' ND2' ' HH ' ' A' ' 3' ' ' TYR . 12.9 t-20 -51.54 -49.69 61.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -33.5 74.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -112.93 47.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -115.16 53.61 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -97.2 148.74 34.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.93 1.55 7.57 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.623 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.28 -20.58 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.46 4.09 53.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -129.07 21.71 5.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.853 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.8 mmt180 -76.1 131.89 39.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.955 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.4 t -89.86 3.4 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.488 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 43.2 t0 44.4 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -20.67 65.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 179.988 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.22 76.5 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -142.32 143.33 26.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -79.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.679 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.18 96.89 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 179.976 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.514 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.0 m -125.48 122.76 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.625 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 6.2 p -126.39 170.35 9.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 -179.972 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 37.99 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.35 -51.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 4.0 tp10 -63.63 -39.65 94.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.334 -179.978 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.28 -39.27 93.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 108.319 179.963 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.419 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 12.2 t30 -86.41 -1.68 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -97.69 -34.84 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.569 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -65.88 -21.04 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.36 70.52 0.34 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.5 -154.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.974 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.1 m -129.92 151.23 50.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.277 179.991 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.645 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 64.6 t80 -114.41 175.74 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 25.9 t70 175.71 139.15 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.576 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 86.9 p -129.06 17.74 6.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -61.8 -48.71 79.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.79 136.9 13.87 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -37.99 1.81 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.96 -49.61 2.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 42' ' ' ILE . 0.9 OUTLIER -85.22 169.94 14.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.749 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.493 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 96.11 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.576 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -35.01 -49.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.447 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.3 t -97.74 104.8 16.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.853 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -123.83 165.73 16.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -68.78 164.06 49.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.497 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.97 121.56 6.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.489 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -33.67 116.11 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.48 32.74 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.81 42.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 56' ' ' GLU . . . -119.26 142.17 48.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 081 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 55' ' ' ALA . 0.5 OUTLIER 172.48 143.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 081 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.6 p -42.99 132.41 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.29 -179.965 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.6 t -172.37 -48.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 081 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.0 p90 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.993 . . . . . . . . 0 0 . 1 . 082 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 3' ' ' TYR . 3.8 tm-20 -161.35 27.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.503 ' O ' ' CG2' ' A' ' 4' ' ' VAL . 1.8 t80 58.07 147.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 -179.962 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 3' ' ' TYR . 2.0 t -169.81 99.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.433 ' HA2' ' NE2' ' A' ' 10' ' ' GLN . . . -90.21 104.07 3.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 pp -116.95 -53.51 2.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -82.42 -171.11 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.94 . . . . . . . . 3 3 . 1 . 082 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . -39.02 -84.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.444 ' N ' ' HB2' ' A' ' 12' ' ' ALA . 4.6 m120 37.9 -92.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' A' ' 8' ' ' ALA . 2.0 mt-30 -48.97 -40.42 30.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -108.61 45.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.32 179.943 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.444 ' HB2' ' N ' ' A' ' 9' ' ' ASN . . . -113.92 47.4 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.593 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -89.97 150.03 42.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 082 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.551 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 2.86 6.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.552 1.817 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.61 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . . . 87.13 -27.44 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 6.11 36.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.02 23.34 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 082 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.784 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -75.51 114.52 14.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 082 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' A' ' 20' ' ' ASP . 40.1 t -67.39 -18.46 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 52.69 106.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.967 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -13.44 59.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.38 98.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.596 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -156.39 144.74 14.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 082 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.0 -85.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.551 1.816 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.405 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.32 84.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 -179.983 . . . . . . . . 3 3 . 1 . 082 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.1 m -113.97 117.25 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.626 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 7.0 p -123.71 170.18 9.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.658 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.01 38.01 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.7 tmtm? -177.45 -50.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 6.5 tt0 -64.45 -39.96 94.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.608 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.03 -34.13 77.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.285 -179.979 . . . . . . . . 3 3 . 1 . 082 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 14.8 t30 -93.3 1.17 57.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 37.8 t30 -99.05 -37.31 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.596 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -64.43 -22.71 67.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.939 . . . . . . . . 3 3 . 1 . 082 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.03 71.19 0.27 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.434 ' SG ' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER 174.8 -155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.94 . . . . . . . . 3 3 . 1 . 082 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.4 m -130.45 150.56 51.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 -179.987 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.658 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 50.0 t80 -115.72 175.46 5.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.637 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 5.2 t70 -178.99 142.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 -179.965 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.562 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -134.03 16.63 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -65.06 -43.65 91.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.466 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -147.57 132.71 9.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 082 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -37.8 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.57 -29.54 0.76 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.466 HG23 ' CD1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -100.76 168.9 8.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 082 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 87.77 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.562 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -30.15 -52.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -94.25 121.8 36.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 108.322 179.975 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.784 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -144.24 164.87 29.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.494 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.0 mtpt -70.27 164.4 53.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 125.86 9.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.514 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.37 139.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.4 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -59.15 83.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 082 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -54.63 102.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 082 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.31 -55.13 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -77.44 75.2 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.25 -55.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 108.264 179.982 . . . . . . . . 2 2 . 1 . 082 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 t -165.6 162.67 19.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 -179.951 . . . . . . . . 1 1 . 1 . 082 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.999 . . . . . . . . 0 0 . 1 . 083 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 2' ' ' GLU . 14.8 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.8 OUTLIER 160.18 160.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 083 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.88 -171.34 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.7 p 175.25 93.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.37 48.36 0.7 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.31 -168.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 p -55.34 -17.8 5.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.682 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -114.13 -74.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.601 ' C ' ' O ' ' A' ' 8' ' ' ALA . 8.6 t-20 -23.96 -48.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.9 tt0 -71.13 -59.18 2.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.8 m -101.19 46.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 108.325 179.996 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.682 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -113.57 52.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -92.72 148.94 37.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 083 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.567 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.1 0.05 9.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.617 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 88.81 -26.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.933 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.77 7.4 30.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HB3' HG13 ' A' ' 13' ' ' VAL . 8.7 t0 -133.11 22.19 4.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.145 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.829 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.7 mmt180 -76.48 136.63 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 2.0 t -91.78 3.57 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.481 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 36.2 t0 43.44 93.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -14.26 52.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.56 72.23 0.57 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -136.28 143.64 44.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -90.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.538 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -56.17 93.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.624 -179.998 . . . . . . . . 3 3 . 1 . 083 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.55 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.4 m -125.27 122.46 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.586 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.5 p -133.07 168.55 17.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.601 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.93 40.23 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 28' ' ' PRO . 2.8 tmtm? 179.96 -35.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 20.8 tt0 -84.57 -26.67 27.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -83.18 -24.9 32.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 083 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -95.1 0.85 54.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 083 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 37.5 t-20 -105.32 -38.66 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.595 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.23 -29.75 68.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 083 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.16 75.44 0.28 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.79 -159.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.3 m -123.16 149.87 44.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.3 179.998 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.5 t80 -114.49 174.7 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.7 t70 176.45 140.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.576 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.9 p -129.66 17.19 5.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.947 179.985 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -51.51 69.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.486 ' CD1' HG12 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.58 137.74 15.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 083 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.93 -38.34 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.431 1.753 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' PRO . . . -37.56 -47.37 1.64 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 -179.931 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.486 HG12 ' CD1' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -87.6 170.02 12.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 083 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 95.21 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 -179.996 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.576 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -34.58 -50.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.965 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.7 t -98.11 101.56 13.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 108.309 -179.991 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.829 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -119.41 165.11 14.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -67.24 163.87 41.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 083 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.476 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 119.25 5.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.529 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -35.15 134.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -63.07 78.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.257 -179.956 . . . . . . . . 3 3 . 1 . 083 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.5 pt-20 -51.83 111.34 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 -179.986 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.53 -66.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.91 165.07 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.952 . . . . . . . . 2 2 . 1 . 083 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.6 m -43.06 159.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 108.294 -179.957 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.3 t -39.74 158.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 083 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.959 . . . . . . . . 0 0 . 1 . 084 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 176.6 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -133.97 158.71 42.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.4 p -164.94 174.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.97 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 155.06 -111.23 0.48 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.459 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -40.34 107.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 2.0 p 163.6 -34.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 7' ' ' SER . . . 162.75 -28.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ALA . 9.0 t-20 -53.32 -85.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.459 ' OE1' ' N ' ' A' ' 6' ' ' LEU . 5.4 pt20 -45.83 -24.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ALA . 2.1 m -112.49 44.63 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -101.94 44.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.511 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -90.57 143.54 29.29 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.529 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 5.15 4.15 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.692 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 85.41 -17.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.17 8.25 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -133.32 18.82 4.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.706 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.8 mmt85 -75.03 116.95 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 20' ' ' ASP . 18.8 t -77.95 -10.32 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.7 t70 58.95 114.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -8.91 59.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.31 179.989 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.34 79.83 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -146.8 146.0 24.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 -179.999 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -80.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.705 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -64.73 96.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 -179.961 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.5 m -125.86 125.16 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.589 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -140.04 173.49 4.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 -179.958 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 39.37 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.36 -47.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.937 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -70.84 -39.11 73.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -72.46 -27.4 62.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 108.259 -179.954 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -95.9 4.22 52.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.7 t30 -101.96 -39.75 7.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.06 -23.15 65.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.82 73.39 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.127 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER 179.14 -153.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.985 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -126.87 150.0 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.8 t80 -118.06 174.21 6.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.7 t70 178.05 143.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.629 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.4 p -139.93 18.3 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -31.46 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.486 HD12 ' CG1' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -154.76 129.9 5.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.936 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -36.57 2.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.39 -35.65 0.83 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.536 ' CG2' ' NH1' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -97.83 168.83 9.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.07 88.77 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.629 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.2 m0 -28.47 -58.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.461 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.5 t -89.76 118.93 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 108.289 179.997 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.706 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.5 p90 -140.86 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -71.01 163.78 62.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.03 125.59 9.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.94 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -33.14 118.31 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.16 40.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 084 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' CB ' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -126.12 39.92 3.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.997 . . . . . . . . 3 3 . 1 . 084 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.5 102.51 8.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.11 -55.37 3.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.7 p -81.55 76.85 8.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 108.285 -179.984 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 m -123.82 154.31 39.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 084 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.983 179.949 . . . . . . . . 0 0 . 1 . 085 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 53.02 179.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.551 ' CD2' ' HB ' ' A' ' 4' ' ' VAL . 35.1 p90 -113.5 -46.05 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.551 ' HB ' ' CD2' ' A' ' 3' ' ' TYR . 2.2 t -152.71 132.54 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.84 102.11 0.16 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.557 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -87.22 130.9 34.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 085 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 3.3 p 160.27 -26.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.563 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -169.17 -46.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 62.3 m-20 -53.93 -65.59 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -71.76 -18.92 62.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.989 . . . . . . . . 3 3 . 1 . 085 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.3 38.84 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.351 179.973 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 8' ' ' ALA . . . -105.7 45.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.548 ' HB ' ' HD3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -89.63 148.1 39.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 085 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.562 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.01 0.81 8.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.618 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . . . 87.89 -25.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.92 6.62 38.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 085 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 10.3 t0 -133.23 22.75 4.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.832 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 3.2 mmt180 -75.89 131.64 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' ASP . 76.0 t -85.62 -8.95 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.8 t70 53.47 105.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -14.24 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 108.312 179.977 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.92 73.02 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.943 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -138.94 145.48 45.69 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 111.017 179.996 . . . . . . . . 3 3 . 1 . 085 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -79.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.733 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.76 98.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.633 179.955 . . . . . . . . 3 3 . 1 . 085 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.498 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 15.5 m -126.11 126.49 69.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.612 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 5.5 p -131.28 170.04 12.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.939 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.652 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.89 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.4 -51.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 085 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 4.4 tt0 -64.05 -41.14 97.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.609 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -63.89 -37.23 86.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 108.304 -179.999 . . . . . . . . 3 3 . 1 . 085 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.434 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 9.9 t30 -87.96 -0.52 57.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -96.74 -35.78 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.567 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -65.79 -24.48 66.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 085 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.3 71.36 0.29 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.0 -157.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.977 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.441 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -125.77 152.13 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 108.274 179.987 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 54.5 t80 -118.09 175.29 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 11.0 t70 178.79 144.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.594 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.4 p -135.59 15.78 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -64.56 -40.47 95.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.444 ' CD1' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.21 130.55 7.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 085 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 -37.99 1.8 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.54 1.811 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.26 -28.45 0.54 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.444 HG23 ' CD1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -102.3 169.94 6.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 085 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 89.95 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.594 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -33.05 -53.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.489 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 4.7 t -94.43 110.63 22.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.832 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.7 p90 -131.37 165.62 23.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.1 mtpt -71.59 164.44 57.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.95 125.31 9.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.515 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 2.3 tt -35.25 137.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' N ' HD22 ' A' ' 52' ' ' LEU . 1.1 mp0 -64.65 77.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.954 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -63.48 86.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.973 . . . . . . . . 3 3 . 1 . 085 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.13 65.82 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.33 -58.89 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.945 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.5 m -119.52 -59.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.266 -179.966 . . . . . . . . 1 1 . 1 . 085 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.01 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 -179.98 . . . . . . . . 2 2 . 1 . 085 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.9 mt-30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.38 41.25 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.95 42.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.967 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -95.7 152.13 38.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.967 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.022 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.19 -24.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.67 7.11 44.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.534 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -124.25 11.13 8.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.721 ' NH1' HG21 ' A' ' 45' ' ' VAL . 13.0 mmt85 -77.01 116.91 18.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 43.8 t -81.63 -8.9 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 6.0 t0 58.75 115.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.93 -20.92 29.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 66.62 93.41 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.591 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.1 m-85 -140.21 148.97 56.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -75.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.459 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -88.98 84.88 6.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.591 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.8 m -95.99 136.37 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.546 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.0 p -151.61 171.46 6.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.579 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.92 39.54 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.53 -45.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.489 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.6 tt0 -72.62 -38.26 67.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.45 -27.79 60.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.267 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.453 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.5 m120 -93.45 -0.84 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 20.8 t30 -101.61 -41.58 6.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.417 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.18 -29.01 60.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 74.99 0.31 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.84 -159.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.23 152.87 37.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 108.323 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 82.0 t80 -117.74 173.39 6.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.9 t70 178.95 142.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.623 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.7 p -135.35 17.74 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -60.22 -42.85 96.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.816 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -150.64 133.87 8.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.07 -30.57 6.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.93 -28.98 4.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.022 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.53 171.32 4.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 88.86 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.623 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -30.36 -55.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.987 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -92.45 113.94 26.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 108.315 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.717 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -135.28 164.87 26.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -65.74 161.56 52.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.99 124.21 8.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.756 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -35.09 133.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.431 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.3 pt20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.49 43.13 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.265 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.81 40.53 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.981 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.68 152.42 40.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.981 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 -58.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.019 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.76 -24.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.4 4.51 53.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.542 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -121.7 11.17 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.721 ' NH1' HG21 ' A' ' 45' ' ' VAL . 12.6 mmt85 -76.47 116.09 16.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -81.61 -10.49 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.5 t0 59.09 117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -23.81 30.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.25 91.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.6 m-85 -139.26 147.81 54.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -71.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.4 84.99 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.629 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.3 m -96.37 135.33 30.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.523 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.2 p -148.88 169.75 8.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.6 Cg_endo -74.99 38.75 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.053 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.07 -40.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.1 tp10 -76.69 -40.61 48.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -69.74 -35.22 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.287 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -85.85 -3.09 58.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.7 t30 -100.61 -40.04 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.502 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -56.99 -26.32 59.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.7 73.07 0.33 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.99 -158.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.82 151.71 39.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.9 t80 -116.32 173.92 6.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 30.5 t70 178.21 142.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.637 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.2 p -135.85 15.5 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -59.14 -39.4 82.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.703 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.33 131.81 6.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.96 -31.74 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.9 -29.07 3.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.019 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.57 171.73 4.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 90.26 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.637 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -31.72 -55.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -92.44 113.4 25.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.303 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.714 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -134.37 164.22 27.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.8 mtpt -63.8 162.21 30.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.04 124.25 8.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.733 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -37.12 132.0 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 41.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.13 38.21 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.954 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.32 151.67 41.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.954 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -57.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.033 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.35 -23.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.12 5.55 51.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.3 m-20 -123.0 11.03 9.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.73 ' NH1' HG21 ' A' ' 45' ' ' VAL . 12.9 mmt85 -76.34 116.48 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 87.7 t -82.26 -9.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 2.2 t70 58.95 116.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.61 -23.42 29.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.13 91.88 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.597 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.3 m-85 -138.95 148.84 59.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -76.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.457 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -87.8 83.42 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.3 m -94.15 136.51 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.54 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -152.26 169.87 8.87 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.92 39.06 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.83 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.486 ' HB3' HG23 ' A' ' 27' ' ' THR . 3.7 tt0 -78.88 -37.26 40.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.96 -28.8 60.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.659 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.9 p30 -94.21 3.25 55.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.0 t-20 -104.56 -42.14 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -30.09 62.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.83 75.21 0.26 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.37 -159.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -120.37 152.37 37.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.288 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.2 t80 -118.14 173.21 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.9 t70 179.83 145.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.655 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.8 p -140.13 16.4 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -33.94 76.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.657 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.23 129.48 4.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.01 -33.07 4.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.73 -28.1 1.56 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.033 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -106.12 172.02 4.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.55 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.03 89.4 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.655 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.7 m0 -31.1 -55.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.59 112.16 24.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 108.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.708 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -133.24 163.98 28.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -64.37 161.92 38.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 123.32 7.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.755 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -37.34 138.05 0.34 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.49 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.453 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -113.93 47.02 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.75 51.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.955 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.98 150.37 40.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.955 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 1.4 7.79 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.031 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.35 -27.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 9.94 21.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -133.91 20.01 3.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.826 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.6 mmt180 -75.87 136.36 40.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 13.3 t -95.88 -3.98 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.3 t70 50.94 102.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.5 -22.67 60.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.67 93.8 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -139.67 149.11 58.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.97 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -77.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.575 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -87.43 83.53 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.587 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.5 m -93.78 135.25 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.534 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -151.02 170.68 7.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.02 39.08 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.12 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.575 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.4 tt0 -76.26 -39.54 54.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.64 -30.78 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -92.29 1.09 57.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.0 t-20 -101.92 -41.07 6.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -30.34 66.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.31 75.57 0.25 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.0 -159.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.5 m -120.62 151.23 39.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 108.255 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.0 t80 -117.17 173.33 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.3 t70 -179.5 145.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.61 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.7 p -135.63 14.3 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -48.22 80.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.576 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.81 136.15 12.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.03 -37.39 2.03 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.63 -46.38 2.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.031 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.1 170.87 10.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 92.56 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.61 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.82 -52.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.988 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.85 112.55 24.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.826 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.7 p90 -132.55 162.87 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -65.95 163.84 33.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.491 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -75.02 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.2 tt -33.83 134.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.783 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.61 45.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.83 40.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.96 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -94.01 152.34 40.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.96 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.05 -57.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.1 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 158.78 -22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.34 2.85 56.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.534 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -119.8 11.38 11.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.735 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.1 mmt85 -77.07 117.55 18.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' ASP . 49.0 t -83.56 -9.18 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.4 t0 59.88 117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.68 -20.88 28.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.11 92.89 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 m-85 -139.83 148.36 55.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -75.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.596 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -88.46 84.35 6.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.5 m -95.77 137.92 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.558 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -152.56 172.08 5.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.95 40.24 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.54 -49.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 5.1 tt0 -66.88 -43.86 82.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -65.0 -34.04 77.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 5.3 t-20 -90.35 -1.61 57.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 34.9 t-20 -95.52 -39.45 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -27.41 68.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.87 73.72 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.64 -158.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.505 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -121.19 152.18 39.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 108.339 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.8 t80 -117.85 173.44 6.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.6 t70 -179.11 144.05 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.4 p -136.26 14.63 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.041 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -58.69 -41.94 87.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.581 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.0 135.59 9.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.448 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -36.49 2.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.57 -39.74 1.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.1 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -95.24 171.16 6.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 91.28 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -31.66 -55.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 108.047 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.9 113.6 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.735 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -133.88 163.41 29.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -61.75 162.49 16.11 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.0 121.22 6.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.748 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -37.23 134.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.422 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.3 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.18 46.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.27 54.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.022 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.63 151.7 42.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.022 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 1.68 7.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.997 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.09 -27.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.78 6.3 35.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -129.99 20.35 5.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.5 mmt180 -76.06 140.24 41.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 19' ' ' VAL . 54.5 t -99.9 -1.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 19' ' ' VAL . 7.6 t0 48.18 99.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.85 -22.35 61.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.0 93.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.9 m-85 -139.21 148.8 58.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -76.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.635 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -87.96 84.55 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 0.0 109.569 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.583 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.4 m -95.32 134.45 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.53 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -150.01 171.38 6.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 38.86 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.23 -42.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.635 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 4.2 tt0 -75.04 -37.97 61.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.4 -27.34 60.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.272 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.519 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.3 m-80 -94.8 0.12 54.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 15.5 t30 -101.03 -41.44 6.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -29.16 64.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.53 76.2 0.36 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.53 -158.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.4 m -121.41 151.53 40.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.5 t80 -117.5 173.49 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.2 t70 -180.0 144.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.604 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 85.4 p -133.76 14.63 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.071 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -51.35 69.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.584 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.54 135.71 14.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.364 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 -37.02 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.47 -44.01 2.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.997 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -90.35 171.75 8.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.06 93.38 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.604 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.3 m0 -33.66 -53.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.42 111.11 22.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 108.33 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -130.88 162.19 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.4 mtpt -66.4 166.62 16.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.573 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.03 122.48 7.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.748 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.2 tt -33.74 144.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.578 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.62 44.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.29 54.58 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.002 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -94.2 151.29 39.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.002 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 2.94 6.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.8 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.57 -25.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 5.51 44.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -129.81 20.78 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -76.22 135.97 39.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 19' ' ' VAL . 93.4 t -95.41 -3.12 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.6 t0 49.74 99.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -22.58 62.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.48 92.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -138.35 149.06 61.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -87.49 84.32 7.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.587 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.0 m -94.79 134.89 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.542 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -149.98 171.21 6.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 39.41 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.43 -44.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.506 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.4 tt0 -72.91 -40.51 65.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.84 -30.68 67.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 108.239 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -92.79 1.98 56.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.5 t-20 -102.5 -40.29 6.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.53 -28.49 67.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.32 75.54 0.31 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.43 -159.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 m -121.47 150.92 40.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -116.02 173.1 6.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 29.0 t70 179.12 144.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.617 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.2 p -133.77 15.92 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -50.52 72.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.806 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.56 136.16 12.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.99 -38.73 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.84 -31.99 0.49 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.806 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -101.47 170.41 6.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 91.6 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.617 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -33.47 -52.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.02 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.17 112.26 24.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 108.295 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -132.65 161.43 33.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.0 mtpt -64.92 163.72 27.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 116.93 4.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.769 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.1 tt -33.09 131.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.756 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 41.75 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.12 40.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.958 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.06 152.45 41.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.958 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.02 -59.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.079 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.72 -23.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.95 4.49 53.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.52 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -121.66 11.12 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.0 mmt85 -77.18 118.67 19.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -85.22 -8.36 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.8 t70 58.75 118.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -26.06 26.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.248 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.8 90.14 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.586 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.5 m-85 -139.26 147.46 53.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -74.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -87.32 82.76 7.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.57 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.586 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.7 m -94.64 138.46 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.541 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -151.57 170.93 7.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 39.97 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 10.8 tptm -178.32 -47.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.453 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.2 tp10 -68.9 -43.39 75.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -65.97 -37.52 86.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 108.341 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -83.55 -8.33 59.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 12.2 t-20 -93.76 -41.22 9.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.532 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.15 -22.45 28.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.47 72.01 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.01 -156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.495 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -122.93 151.67 41.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.6 t80 -117.31 173.87 6.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.566 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 33.2 t70 -179.58 142.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.628 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.6 p -136.11 16.33 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -37.89 88.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.487 HD13 HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -153.42 132.31 6.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -34.19 3.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.87 -40.67 2.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.079 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -95.1 172.89 4.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 93.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.628 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.79 -54.24 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 107.983 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -93.8 112.24 24.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 108.349 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.3 p90 -132.65 164.58 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -63.27 162.36 25.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.97 121.44 6.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.783 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -35.25 126.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -113.84 46.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.94 52.51 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.967 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.3 150.39 38.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.967 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 3.12 5.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.789 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.761 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.83 -22.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.52 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -90.63 5.3 48.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.495 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.41 21.54 5.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.824 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.2 mmt180 -76.05 136.35 39.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 20' ' ' ASP . 12.5 t -96.4 0.07 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.4 t70 46.12 97.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -23.79 64.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 108.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.23 93.77 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.8 m-85 -139.29 148.51 57.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.596 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -88.11 84.72 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.621 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.578 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -95.72 137.11 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -151.23 172.15 5.69 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 40.22 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.1 tttt -178.84 -49.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 2.3 tt0 -66.55 -44.26 82.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.59 -34.94 79.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.274 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 7.3 t-20 -89.31 -1.42 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.5 t30 -96.15 -38.59 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.72 -27.02 68.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.99 74.57 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.27 -158.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.2 m -122.02 151.06 41.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.287 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.4 t80 -115.95 173.14 6.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 30.6 t70 179.55 144.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.7 p -133.39 16.3 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.66 -51.87 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.806 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.86 135.04 13.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -37.64 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.05 -30.37 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.806 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -103.04 171.06 5.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 92.08 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -34.31 -52.94 0.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 107.969 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.7 t -93.9 111.59 23.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 108.336 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.824 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.9 p90 -131.87 161.8 32.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -64.44 163.22 27.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.495 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 116.41 4.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.776 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.9 tt -33.27 133.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.741 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.3 mp0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.06 43.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.29 53.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.941 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.68 149.85 36.63 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.941 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.99 2.93 6.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.755 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.22 -20.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.521 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.45 5.3 49.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.89 21.62 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.831 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.9 mmt180 -75.33 137.17 40.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 20' ' ' ASP . 20.7 t -96.93 -4.03 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER 49.4 99.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -23.89 61.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.86 93.52 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -138.76 148.62 59.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -77.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.455 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -86.28 82.32 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.58 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.0 m -92.44 136.06 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.9 p -151.06 170.2 8.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.613 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.95 39.51 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.79 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.7 tp10 -76.02 -40.01 54.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.14 -29.25 63.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.28 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -94.23 2.24 55.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.3 t30 -103.1 -42.37 5.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -28.25 59.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.93 75.22 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.77 -159.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 m -121.05 152.09 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 108.349 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.613 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.4 t80 -117.39 173.28 6.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.553 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.0 t70 179.53 145.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.0 p -136.56 16.32 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -46.76 87.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.779 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -146.09 133.48 10.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 -37.81 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.88 -29.13 0.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.779 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -104.26 170.98 5.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 91.56 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.0 m0 -33.76 -53.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.017 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -93.13 113.32 25.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.262 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.831 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.9 p90 -134.08 162.42 32.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -66.06 163.54 36.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 118.51 5.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.662 ' C ' HD23 ' A' ' 52' ' ' LEU . 3.3 tt -33.11 137.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.3 mp0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 45.52 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.69 44.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.965 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -99.45 155.76 36.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.965 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -58.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.904 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.46 -25.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -4.62 57.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -113.56 14.65 19.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.788 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 4.8 mmt180 -77.03 103.03 6.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 20' ' ' ASP . 40.4 t -64.83 -14.68 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.6 t70 59.46 117.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -22.01 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 108.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.86 90.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.597 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 10.2 m-85 -135.31 149.07 68.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -73.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.46 1.769 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.496 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -89.63 84.82 6.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.613 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 22.3 m -96.31 139.32 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.557 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.4 p -153.16 172.06 6.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.616 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 40.48 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.446 1.761 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -178.86 -50.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.509 ' HB3' HG23 ' A' ' 27' ' ' THR . 3.2 tt0 -65.6 -45.03 84.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -63.2 -35.51 80.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 108.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 8.6 t-20 -88.96 -1.7 58.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.6 t30 -96.0 -37.94 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.06 -28.24 69.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.31 73.98 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 172.25 -159.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -120.57 151.67 39.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 108.289 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.616 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.7 t80 -115.98 172.81 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 33.4 t70 -179.53 141.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.626 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.3 p -134.87 17.14 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -41.9 96.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.84 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.59 132.91 8.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.432 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 -36.83 2.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.93 -27.69 1.06 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.474 1.108 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.904 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.58 170.65 5.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 0.737 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 89.82 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.626 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -32.27 -53.95 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 108.01 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.63 114.9 26.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.788 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.6 p90 -134.8 164.95 26.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.3 mtpt -64.79 162.87 32.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.05 125.68 9.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.725 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -37.29 137.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.63 44.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.09 38.85 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.951 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.84 151.57 39.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.951 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 -59.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.043 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 162.14 -23.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 3.47 55.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.548 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -120.63 11.27 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.742 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.8 mmt85 -77.23 119.62 21.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.4 t -85.83 -9.18 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER 59.74 116.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.47 -22.67 28.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 108.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.15 92.41 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.9 m-85 -139.71 149.06 58.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.479 0.752 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -76.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.817 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.556 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -87.79 83.85 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.572 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.8 m -94.7 136.66 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.547 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -151.51 171.48 6.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 39.8 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.789 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.88 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.556 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 3.7 tt0 -70.77 -41.12 72.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -69.77 -32.82 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.263 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -90.17 -2.03 58.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.8 t-20 -98.18 -41.44 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.366 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -29.53 64.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.93 75.08 0.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.48 -159.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -120.19 152.18 38.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.1 t80 -117.9 173.37 6.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.558 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 31.7 t70 -179.85 144.41 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.636 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.2 p -138.62 14.55 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.954 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -60.94 -35.05 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.545 HD13 HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.36 132.56 6.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -35.95 2.88 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.537 1.809 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.37 -42.5 1.83 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.043 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -93.07 172.23 6.32 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 93.02 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.636 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.8 m0 -32.8 -54.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.013 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.71 114.34 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.742 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.7 p90 -134.52 163.51 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.78 162.08 18.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.03 120.66 6.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.571 ' HB2' HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -37.12 139.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 39.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.72 41.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.968 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.69 153.15 42.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.968 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 -59.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.082 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.92 -23.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.98 1.1 57.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -117.73 11.33 13.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.737 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.4 mmt85 -77.21 117.31 18.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 t -83.62 -9.57 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 60.08 119.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.78 -26.28 27.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.98 88.79 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.2 m-85 -139.3 146.83 50.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -69.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -90.61 83.73 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.596 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.3 m -97.15 135.92 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.571 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.6 p -149.93 171.99 5.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 40.25 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.57 -49.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.8 tt0 -67.29 -43.08 82.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.571 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -64.75 -39.47 93.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -82.26 -7.36 59.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 44.8 t-20 -93.22 -38.35 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.599 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -60.59 -22.73 64.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.98 72.94 0.51 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.35 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.7 m -123.12 150.74 42.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.246 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.3 t80 -115.31 173.62 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 35.4 t70 178.43 141.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.611 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.2 p -135.55 17.95 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -37.77 83.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.693 HD13 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -155.89 135.63 8.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -36.84 2.31 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.6 -34.03 0.66 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.082 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -101.23 170.48 6.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 91.83 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.611 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.1 m0 -32.77 -53.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.43 111.97 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 108.268 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.737 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -132.25 164.85 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -64.36 163.22 27.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 120.57 6.13 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.788 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.8 tt -34.37 123.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.252 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.479 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 6.6 tt0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.06 46.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.2 54.57 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.015 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.16 151.66 43.27 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.015 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 2.09 7.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.447 1.762 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.983 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.48 -26.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.47 6.69 36.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.497 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -130.45 20.3 5.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.9 OUTLIER -76.5 136.29 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 19' ' ' VAL . 77.9 t -96.3 -2.11 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.0 t0 48.63 99.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.77 -23.56 61.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.2 93.89 0.04 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.095 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.5 m-85 -139.55 148.69 57.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -75.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.596 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -88.66 84.61 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.619 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.5 m -95.42 134.93 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.545 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -150.6 171.41 6.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.577 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 38.65 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.9 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 3.6 tt0 -74.4 -37.88 63.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.262 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.02 -27.14 59.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.263 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.455 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.2 m120 -94.54 0.42 55.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.6 t30 -101.61 -42.27 6.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -29.67 62.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.91 76.19 0.34 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.48 -158.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -121.5 151.35 40.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.1 t80 -117.18 173.41 6.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 -179.89 145.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.611 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 78.2 p -134.67 14.11 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.965 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -53.21 60.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.584 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.69 135.81 15.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -37.83 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.45 -42.5 1.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.983 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.31 171.24 8.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.97 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.611 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.43 -53.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -93.95 111.02 22.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 108.299 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -130.88 162.45 29.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.3 mtpt -65.41 166.57 13.41 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 122.28 7.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.784 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -35.59 128.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.518 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.492 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 6.2 pt20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.492 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -103.32 43.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 108.293 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.83 38.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.15 150.76 40.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -55.99 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.119 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 157.97 -21.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 2.52 55.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.1 m-20 -120.07 11.7 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.711 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.2 mmt85 -76.35 117.49 18.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -81.78 -9.37 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.493 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 51.6 t0 58.46 115.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -84.89 -24.31 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 108.247 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.87 91.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.3 m-85 -137.37 148.62 62.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -90.8 85.44 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.57 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.599 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.7 m -96.63 138.71 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.552 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.4 p -152.74 170.38 8.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 40.07 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.29 -44.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.463 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.3 tt0 -72.47 -41.83 65.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.536 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -68.1 -37.08 80.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.298 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.53 -5.29 59.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 22.1 t-20 -98.02 -39.51 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.467 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -57.71 -25.85 60.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.12 72.91 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.19 -157.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -121.5 151.11 40.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 108.311 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.9 t80 -116.41 173.66 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.3 t70 178.58 142.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.8 p -135.14 15.81 3.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -60.18 -41.65 93.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.588 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.66 133.94 8.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -34.97 3.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.429 1.752 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.56 -33.61 1.0 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.119 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -101.22 171.05 5.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.372 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 90.39 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.0 m0 -31.43 -56.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -92.23 109.68 21.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.711 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.2 p90 -130.11 165.7 21.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.8 mtpt -66.48 163.72 38.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.497 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 126.19 9.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.74 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -36.23 132.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.1 tt0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 m -113.69 46.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 108.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.07 55.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.033 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.05 152.06 42.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.033 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 3.28 5.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.897 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 84.55 -26.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.2 4.52 45.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -128.36 20.9 6.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.804 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -76.3 138.44 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 19' ' ' VAL . 55.1 t -98.15 -0.17 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 19' ' ' VAL . 5.6 t70 46.09 97.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -23.66 63.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.84 94.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.4 m-85 -140.3 148.56 54.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -77.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.602 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -87.7 85.74 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.526 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.3 m -96.87 136.0 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.555 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -150.55 171.64 6.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 39.33 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.58 -44.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.602 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 2.9 tt0 -72.52 -39.1 67.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -72.53 -33.07 66.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 108.311 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -85.34 -6.41 59.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 16.2 t-20 -99.1 -40.26 8.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.54 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 3.4 tpt180 -55.1 -26.0 35.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 118.65 72.62 0.41 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.91 -158.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.9 m -120.2 151.43 39.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -116.03 173.32 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.2 t70 179.62 142.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.615 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.9 p -131.54 14.4 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -54.05 49.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.238 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.692 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.85 136.27 16.13 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -37.59 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.64 -40.57 2.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.897 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -92.86 171.2 7.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 93.2 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.615 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -34.27 -52.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 108.023 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.41 111.64 23.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.804 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -131.6 161.26 33.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.549 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.5 mtpt -64.64 165.88 13.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.93 121.59 6.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.747 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -33.8 135.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 52' ' ' LEU . 3.2 pt20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.9 43.88 1.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 108.27 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.01 39.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.013 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.04 153.59 43.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.013 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 -59.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.016 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.21 -24.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 0.59 57.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.538 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -118.25 12.82 13.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.8 mmt85 -76.2 112.22 12.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 19' ' ' VAL . 2.2 t -73.43 -13.04 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER 60.05 118.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.01 -13.68 55.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.45 79.0 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.656 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -144.85 147.74 36.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.97 -87.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.426 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -58.04 84.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.65 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.561 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.3 m -113.46 119.55 61.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.53 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -137.83 171.9 7.65 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 37.87 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.8 tmtt? -174.74 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.93 -38.1 46.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -74.3 -26.89 60.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 108.325 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -96.43 2.54 52.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 6.7 t30 -100.23 -43.84 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.656 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.96 -34.06 65.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.46 71.64 0.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.76 -157.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.5 m -122.66 149.16 44.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.6 t80 -116.87 173.81 6.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.3 t70 179.89 143.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.631 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.2 p -136.28 14.43 3.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -58.88 -43.69 90.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.776 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.55 134.04 9.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 -33.15 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.49 -31.34 2.4 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.016 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -101.76 170.77 6.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 87.72 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.631 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -29.41 -56.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.038 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -92.46 114.39 26.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.281 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -135.5 164.35 28.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.3 mttt -63.97 161.96 34.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.5 Cg_endo -74.97 125.3 9.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.749 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -35.82 134.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.432 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 mp0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.85 46.16 1.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.71 46.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.921 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.68 149.09 50.51 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.921 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.98 1.33 7.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.451 1.763 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.023 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.08 -24.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.97 13.63 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.537 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -136.73 16.25 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.684 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.1 mmt85 -76.02 118.31 18.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' ASP . 97.2 t -81.74 -9.09 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 59.01 116.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -19.8 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 108.338 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.51 92.45 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.4 m-85 -139.48 148.3 55.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 111.025 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -76.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -87.44 83.47 7.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.599 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.1 m -94.2 134.98 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.526 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -150.57 170.83 7.15 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.0 39.12 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 7.0 tmtm? -177.23 -41.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.7 tt0 -76.14 -39.04 55.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -73.22 -29.47 62.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 108.308 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -94.13 2.55 55.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.6 t30 -103.36 -40.59 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -31.21 67.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.79 75.16 0.21 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.87 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -120.16 152.84 37.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.5 t80 -119.2 173.5 6.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.077 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.5 t70 -179.03 144.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.63 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.8 p -134.63 13.84 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -49.64 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.607 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.63 136.94 13.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.03 -37.21 2.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.77 -44.26 1.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.023 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.18 169.47 11.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 90.85 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.63 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.2 -56.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.038 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 t -90.0 119.78 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.684 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -142.49 164.35 30.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.7 mttt -67.84 163.59 48.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 123.13 7.66 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.445 1.761 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.769 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.3 tt -32.44 138.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.762 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.3 mp0 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.479 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.06 48.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.23 43.87 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.875 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.4 147.37 46.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.875 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.94 0.86 8.36 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.02 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.07 -20.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.18 11.36 28.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.52 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.94 16.67 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.666 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.2 mmt85 -75.78 115.41 15.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.8 t -80.76 -8.6 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.3 t70 58.9 117.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.86 -18.27 38.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.38 92.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 11.7 m-85 -140.9 146.4 43.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -75.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.61 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -87.52 84.34 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.651 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.1 m -96.21 134.88 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.547 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.8 p -150.38 171.67 6.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.557 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 39.43 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.44 1.758 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.29 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.61 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 7.4 tt0 -73.87 -37.54 64.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.2 -27.6 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.3 m120 -93.84 -0.92 55.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 7.5 t-20 -100.68 -43.29 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.55 -31.83 57.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.05 75.47 0.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.22 -159.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.92 153.07 36.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 108.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.4 t80 -118.06 173.35 6.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.6 t70 -179.11 142.18 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.423 1.077 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.626 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.3 p -133.23 15.66 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.054 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -58.26 -51.1 71.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.607 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.31 137.12 14.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.97 -36.72 2.41 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.806 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.54 -43.0 1.48 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.02 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.73 169.32 10.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 91.26 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.626 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.2 m0 -29.63 -56.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.025 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 t -90.41 117.58 29.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 108.331 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.666 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.9 p90 -139.35 165.23 27.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -66.93 163.65 42.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.0 121.83 6.83 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.785 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -32.44 138.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.706 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.06 45.51 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.67 49.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.886 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.9 148.9 40.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.886 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.95 1.95 7.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.015 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.12 -20.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.06 6.96 44.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.51 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -131.61 20.49 4.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.807 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.8 mmt180 -75.44 126.41 30.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 19' ' ' VAL . 91.5 t -89.33 -2.16 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.5 t0 39.34 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -14.85 62.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.368 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.55 102.74 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 19.1 m-85 -141.74 145.59 37.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -81.07 82.6 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -91.47 137.47 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.55 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.0 p -152.22 170.23 8.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 39.16 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.87 -41.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.498 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.7 tt0 -75.94 -38.91 57.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -73.14 -28.55 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.303 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.3 m120 -90.36 -4.58 56.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.1 t30 -99.9 -41.53 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.21 -24.16 25.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.04 73.09 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 173.29 -154.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.489 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.6 m -126.15 149.26 49.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.1 t80 -115.61 173.51 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.3 t70 -176.99 142.95 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.603 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.2 p -133.65 13.92 4.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.04 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -61.48 -48.32 81.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.538 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.05 132.58 12.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -36.93 2.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.34 -46.72 2.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.015 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -86.62 171.6 9.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.533 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 92.72 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.603 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.4 m0 -32.16 -52.4 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.487 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.3 t -92.8 126.64 37.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 108.267 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.807 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -149.43 165.26 32.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.7 mtpt -68.97 163.74 53.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -74.99 122.69 7.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.794 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.1 tt -34.32 140.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.794 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.2 mp0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.39 46.74 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.3 54.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.877 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -96.94 148.25 34.12 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.877 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 1.57 7.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.037 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.53 -20.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.39 6.78 44.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -131.2 20.43 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.815 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -76.12 126.54 31.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.3 t -90.06 -7.85 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.6 t70 55.81 109.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -19.78 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 108.26 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.66 91.38 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.586 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.3 m-85 -140.02 148.34 54.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -71.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -91.91 86.89 6.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.591 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.57 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.2 m -98.41 133.25 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.559 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.9 p -147.49 172.13 5.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.627 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 39.44 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.779 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -177.79 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.51 ' HB3' HG23 ' A' ' 27' ' ' THR . 4.2 tt0 -71.3 -39.68 71.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.42 -38.04 74.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 108.271 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -83.9 -1.95 55.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.8 t30 -101.5 -37.83 8.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.586 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -59.22 -29.3 67.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.11 72.61 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 168.98 -158.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -119.63 152.06 37.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 108.31 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.5 t80 -115.88 173.27 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.1 t70 -179.03 142.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.0 p -133.75 16.34 3.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -49.12 78.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.583 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.48 136.8 13.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.98 -37.64 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.547 1.814 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.44 -43.55 1.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.037 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.6 169.32 11.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.554 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 92.21 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -30.83 -54.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 107.979 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -93.49 112.81 24.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.815 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.6 p90 -133.13 167.44 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.478 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -68.76 163.91 50.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 121.61 6.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.735 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.1 tt -33.18 136.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.463 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.1 mp0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.54 44.68 1.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.54 52.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.986 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.86 150.87 41.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.986 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 1.07 8.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.437 1.756 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.013 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.36 -27.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.3 7.99 29.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -131.71 20.22 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.829 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.5 mmt180 -76.01 136.6 39.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 20' ' ' ASP . 38.7 t -96.46 -4.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.4 t0 51.12 102.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -26.57 64.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 108.345 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.46 89.07 0.11 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 6.8 m-85 -138.31 148.49 59.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -72.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -90.74 84.06 5.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.6 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -95.48 118.75 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 29' ' ' LYS . 7.8 p -129.16 169.31 13.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.63 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 38.72 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.59 -38.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.456 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 1.9 tt0 -77.72 -41.99 35.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -65.72 -36.62 84.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.317 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -84.33 -4.81 59.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.3 t30 -99.49 -38.97 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.589 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -58.3 -26.61 63.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.69 72.49 0.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 169.95 -158.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.1 m -121.85 150.61 41.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.7 t80 -114.16 173.28 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 23.2 t70 -179.86 141.1 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.606 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.1 p -130.83 16.26 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -51.28 70.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.592 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.71 136.74 14.62 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.05 -38.09 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.62 -45.23 1.94 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.013 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -89.35 170.76 10.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.514 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.07 93.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.606 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -33.5 -51.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.9 t -95.35 111.8 23.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 108.268 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.829 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -132.07 165.07 24.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -68.83 163.49 55.27 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.01 118.54 5.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.762 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.3 tt -32.8 130.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.72 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.92 43.75 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.77 50.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.912 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.74 149.3 41.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.912 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.81 . . . . 0.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.99 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.02 -14.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.92 2.87 52.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.681 ' HB3' HG12 ' A' ' 13' ' ' VAL . 4.6 t0 -130.15 22.77 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.807 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.7 mmt180 -74.49 138.21 43.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.0 t -97.18 -6.9 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.1 t0 51.8 101.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -22.93 61.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.98 91.71 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.1 m-85 -139.49 147.98 54.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -70.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -92.08 85.49 5.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.5 m -97.97 132.15 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.552 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -146.95 171.14 6.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 38.62 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.16 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.607 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.2 tt0 -77.42 -35.65 53.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.99 -29.38 58.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.279 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.727 HD22 ' HB3' ' A' ' 38' ' ' PHE . 3.1 m120 -89.97 -3.6 57.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 20.6 t-20 -100.21 -41.01 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.593 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.42 -27.56 48.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.07 73.95 0.39 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.19 -158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -120.5 151.63 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.304 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.727 ' HB3' HD22 ' A' ' 32' ' ' ASN . 79.4 t80 -116.61 173.26 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 23.1 t70 -179.48 143.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.608 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.7 p -134.93 16.92 3.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -47.5 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.513 ' H ' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -144.15 132.17 10.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -36.06 2.74 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.71 -36.56 1.1 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.99 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -97.76 171.64 5.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.539 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 91.25 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.608 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -31.8 -53.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 108.037 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 t -92.78 112.1 23.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.332 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.807 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.9 p90 -133.4 162.74 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -66.78 163.51 42.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.99 119.64 5.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.815 HD23 ' N ' ' A' ' 53' ' ' GLN . 3.0 tt -31.63 141.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.815 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.6 mp0 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -113.5 46.15 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 108.268 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.2 53.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.93 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.13 149.65 36.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.93 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 1.53 7.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.036 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.29 -20.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.9 4.51 52.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -129.27 21.14 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.833 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.2 mmt180 -75.06 137.61 41.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.343 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.9 t -98.5 -1.46 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.464 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.7 t70 47.6 98.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -25.2 62.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 108.305 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.85 93.48 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.5 m-85 -138.11 148.27 59.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.799 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.558 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -88.26 84.02 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.1 m -93.89 138.57 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.592 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 2.7 p -150.9 172.38 5.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.87 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -177.53 -54.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -60.23 -45.65 92.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -64.24 -35.92 82.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -89.71 3.12 53.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LYS . 15.8 t30 -104.28 -36.29 7.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -26.97 68.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.93 73.1 0.22 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.39 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.5 m -123.4 151.71 42.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.2 t80 -116.39 173.73 6.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.555 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.3 t70 -179.64 144.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.0 p -134.66 14.26 3.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -58.67 -48.9 79.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.547 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.57 134.88 12.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -37.76 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.96 -43.74 1.82 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.036 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -90.55 170.89 9.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 93.73 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -33.47 -53.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 107.997 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.84 110.04 21.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.833 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -129.96 163.48 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -66.41 164.12 34.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.96 116.77 4.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.796 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.7 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.6 tt -34.27 131.95 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.443 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.3 45.91 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.9 43.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.899 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -84.68 147.82 50.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.899 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.04 4.04 5.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.973 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.18 -15.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.71 7.03 47.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.86 16.96 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.1 mmt85 -75.0 112.43 11.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 60.5 t -78.54 -7.88 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 58.06 114.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -81.49 -20.75 39.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.261 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.08 91.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 16.3 m-85 -138.21 146.6 52.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -78.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.423 1.749 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -86.04 83.62 7.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.589 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.0 m -93.83 138.68 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.7 p -152.78 170.65 7.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.98 40.99 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 27' ' ' THR . 5.5 tmtt? -178.71 -47.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.474 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.0 OUTLIER -70.74 -42.89 69.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.2 -30.93 71.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.285 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -92.73 2.87 56.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 34.7 t-20 -103.53 -39.29 6.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -59.34 -31.1 68.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.57 73.51 0.18 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.89 -160.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.51 154.13 34.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.7 t80 -118.17 173.29 6.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.56 ' O ' ' CG ' ' A' ' 47' ' ' TRP . 11.1 t70 179.77 145.75 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.652 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.6 p -139.63 16.03 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -61.76 -34.91 76.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.512 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.24 132.43 6.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -38.03 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.15 -34.42 0.33 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.973 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -100.39 169.19 8.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 89.49 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 9.5 m0 -28.92 -57.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.401 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.8 t -89.97 117.36 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 108.326 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.7 p90 -139.3 165.66 26.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -68.66 164.41 45.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 124.61 8.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.773 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.9 tt -34.31 137.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.684 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.39 46.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.29 55.2 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.04 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.29 152.29 42.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.04 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 2.56 6.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.766 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.42 -26.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.12 4.28 46.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -127.91 20.54 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.794 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.39 135.69 39.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 19' ' ' VAL . 53.6 t -94.81 -0.35 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.7 t70 46.47 97.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -25.17 64.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 108.277 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.98 92.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.2 m-85 -137.98 149.84 65.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 0.8 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -77.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -88.02 84.69 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.588 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.6 m -95.05 134.42 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.551 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -148.59 171.52 6.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 40.44 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.55 -47.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.511 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.3 tt0 -69.66 -42.05 74.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -67.9 -33.0 73.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 108.326 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -90.06 -1.8 58.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.6 t-20 -98.08 -40.1 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -30.5 68.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.47 75.37 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.32 -159.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.0 m -121.61 150.53 41.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.6 t80 -115.28 173.07 6.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.3 t70 179.51 144.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.4 p -133.4 15.43 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -51.75 67.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.807 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.32 134.86 12.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -38.06 1.78 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.513 1.797 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.94 -28.49 0.47 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.807 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -104.6 171.01 5.39 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 91.16 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.423 1.749 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -33.76 -53.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.064 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.6 t -93.91 110.34 22.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.285 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.794 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -130.42 161.03 32.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.4 mtpt -63.91 164.87 14.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.03 120.57 6.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.814 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -34.89 126.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.535 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.8 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 48.64 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.266 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.68 47.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.892 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.21 147.79 45.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.892 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 1.92 7.21 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.0 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.76 -17.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.2 10.16 37.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.488 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -134.19 17.07 3.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.665 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.8 mmt85 -74.8 122.05 22.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 52.7 t -86.85 -8.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.6 t0 55.4 108.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.58 -19.8 60.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.36 89.2 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.597 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.6 m-85 -138.29 147.52 55.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -72.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 111.058 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.626 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -90.67 85.62 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -97.54 132.77 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.56 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.1 p -147.31 171.27 6.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.63 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.02 38.76 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.58 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.626 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.9 tt0 -74.98 -39.02 61.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -71.18 -36.4 71.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 108.323 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -84.72 -3.51 58.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 15.5 t30 -99.77 -39.8 8.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.597 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.97 -29.22 63.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.75 72.76 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.61 -159.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -118.43 153.17 34.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.6 t80 -118.1 172.83 7.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.548 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 8.0 t70 -177.97 144.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.633 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.3 p -134.97 14.6 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -57.79 -49.8 75.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.555 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.29 135.52 12.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 -36.87 2.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.36 -41.54 1.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.0 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.4 170.55 8.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.554 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.98 91.71 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.633 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.8 m0 -30.7 -56.81 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 107.97 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -89.52 118.68 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 108.327 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.665 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -140.89 166.09 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.5 mtpt -67.02 164.3 36.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.95 123.46 7.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.735 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -34.9 134.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.17 40.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.72 36.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.006 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -89.31 152.77 48.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.006 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.95 -56.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.043 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 158.77 -23.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 2.53 56.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -120.69 13.1 11.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 14.2 mmt85 -75.65 112.88 12.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 20' ' ' ASP . 36.0 t -72.64 -13.56 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER 59.44 114.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -8.19 59.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 108.296 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.38 83.44 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.1 t80 -149.28 145.72 19.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -79.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.692 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -65.95 96.51 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.632 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 19.1 m -126.41 124.59 65.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.35 173.25 5.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 39.73 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.768 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.69 -47.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.53 -39.52 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.8 OUTLIER -71.68 -27.43 63.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -95.7 3.73 53.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.7 t-20 -101.31 -40.36 7.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -59.4 -28.06 66.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.1 71.92 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.88 -154.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.0 m -125.37 150.47 47.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 108.312 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.645 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.6 t80 -117.91 173.63 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.3 t70 -179.13 147.17 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.63 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.8 p -139.82 14.25 2.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -40.57 89.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.683 HD13 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -152.2 134.26 8.54 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -33.77 4.32 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.22 -35.56 2.59 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.043 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.57 170.44 7.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.564 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 88.82 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.63 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -30.12 -57.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.466 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.3 t -91.26 114.0 26.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -135.57 165.65 25.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.3 mtpt -67.96 162.17 61.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 125.75 9.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.789 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.9 tt -34.89 138.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.738 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.1 mp0 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -107.78 45.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 108.283 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.47 52.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.89 150.25 41.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 3.66 5.44 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.89 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.07 -23.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.449 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -89.85 8.64 31.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.946 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -132.64 19.96 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.809 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -75.89 125.97 30.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 19' ' ' VAL . 79.9 t -87.47 -1.85 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.3 t0 39.57 89.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -15.55 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.94 102.24 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 18.9 m-85 -140.67 145.93 42.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -84.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.46 1.768 . . . . 0.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.519 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -81.25 82.03 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.555 -179.953 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.9 m -90.62 136.86 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.561 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 2.7 p -150.48 171.34 6.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 40.04 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -179.55 -46.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.519 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -68.78 -44.13 74.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.516 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.92 -32.04 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 108.256 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 9.9 t30 -91.58 -1.65 57.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 21.1 t-20 -95.89 -38.79 10.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -63.69 -23.0 67.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.8 75.14 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.5 -156.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.2 m -126.44 147.75 49.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 108.347 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.4 t80 -113.64 173.46 6.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.548 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.8 t70 -178.65 142.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.602 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.6 p -132.34 14.73 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -60.35 -49.63 76.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.625 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.28 133.65 14.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.456 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.39 -44.15 2.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.15 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.89 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -88.28 170.8 10.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 91.62 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.602 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.43 -52.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.475 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 5.5 t -93.03 127.06 38.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.809 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -148.88 163.88 36.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.508 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.8 mtpt -66.78 165.0 28.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 123.03 7.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.791 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -35.85 129.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.562 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -115.04 45.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.296 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.87 56.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.008 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -94.36 151.4 39.38 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.008 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.91 3.24 5.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.775 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 84.98 -27.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.69 6.62 33.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.493 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -130.38 20.27 5.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.793 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.93 133.27 39.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 20' ' ' ASP . 21.6 t -92.54 -3.48 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 19' ' ' VAL . 8.3 t0 50.53 101.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -24.68 61.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.95 93.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.4 m-85 -139.28 148.0 55.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -72.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -91.57 86.69 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.571 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.2 m -97.96 137.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.548 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.4 p -151.75 171.06 6.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 39.59 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.96 -45.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.0 OUTLIER -70.58 -42.69 70.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -66.88 -37.13 83.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.276 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -84.12 -4.33 58.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 25.5 t30 -98.5 -38.95 8.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -58.84 -27.61 65.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.22 72.84 0.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.4 -158.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.9 150.62 40.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.5 t80 -114.83 173.03 6.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 19.3 t70 179.5 141.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.604 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.9 p -131.35 17.09 4.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.949 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.409 ' HB3' HG13 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -58.83 -52.15 66.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.804 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 135.07 13.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -37.7 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.93 -30.28 0.66 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.804 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -102.92 170.98 5.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 91.55 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.781 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.604 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -34.03 -53.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -94.3 109.18 21.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.793 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -129.03 162.86 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.2 mttt -64.41 163.53 25.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 118.92 5.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.785 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -35.08 130.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.56 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.407 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 47.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.336 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.29 41.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.983 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.07 152.36 41.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.983 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 -58.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.023 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.25 -23.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.03 1.12 57.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.543 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -117.02 9.94 13.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.697 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.0 mmt85 -76.77 108.64 9.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' ASP . 70.4 t -75.45 -9.22 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 59.48 116.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -86.09 -21.35 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.56 92.21 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.579 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 13.7 m-85 -137.43 147.44 57.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -76.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -87.98 84.84 6.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.626 180.0 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.4 m -94.81 140.23 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.609 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.3 p -152.21 172.69 5.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 38.57 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.55 -55.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.3 tt0 -59.35 -45.04 92.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -63.66 -41.1 98.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -82.07 -2.29 51.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' LYS . 22.7 t-20 -100.97 -35.27 9.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.454 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -62.09 -25.17 67.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.964 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.73 71.02 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 170.35 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -122.75 152.76 40.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.7 t80 -116.04 173.73 6.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.6 t70 179.19 140.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.629 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.4 p -133.94 16.64 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -41.97 92.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.756 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.5 133.79 8.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.09 -33.83 4.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.23 -28.64 1.43 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.023 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.47 170.64 5.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 88.72 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.629 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.33 -56.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 107.995 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.408 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.9 t -92.08 111.94 23.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.697 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.9 p90 -132.46 165.18 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.48 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.1 mtpt -62.81 162.45 21.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.01 126.1 9.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.711 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -38.42 140.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.3 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.44 42.64 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 108.298 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.03 46.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.88 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.1 148.35 47.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.88 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 0.84 8.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.571 1.827 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.026 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.92 -18.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.514 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.26 10.13 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.504 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -134.02 16.91 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.5 mmt85 -75.59 118.12 18.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.4 t -82.79 -8.33 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 56.77 109.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -19.32 56.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.93 92.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.9 m-85 -140.37 147.44 49.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -75.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.462 1.769 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -87.14 83.86 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.641 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.584 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.5 m -95.26 135.29 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.549 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -149.83 171.47 6.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.91 39.28 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.28 -45.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.498 ' HB3' HG23 ' A' ' 27' ' ' THR . 3.7 tt0 -71.8 -40.59 69.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.58 -32.47 69.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.247 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -90.41 -1.75 57.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.9 t-20 -98.8 -41.33 7.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -29.06 64.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.92 74.85 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.17 -159.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.5 m -119.9 152.28 37.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 108.317 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.8 t80 -118.35 173.45 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.0 t70 -178.5 145.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.633 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.1 p -135.66 13.43 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -51.34 69.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.572 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.32 135.45 14.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -36.2 2.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.12 -42.44 1.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.026 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.89 170.49 8.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 109.339 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.559 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 91.46 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.797 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.633 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.42 -56.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 107.955 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -89.6 119.35 29.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.7 p90 -142.27 163.75 32.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.4 mtpt -67.22 164.23 38.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.02 124.26 8.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.766 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.2 tt -35.25 132.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.75 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 51' ' ' PRO . 1.7 pt20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.17 42.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 108.251 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.01 50.98 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.947 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.76 150.06 43.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.947 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 1.27 7.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.031 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.83 -27.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.07 10.18 20.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.529 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -133.57 19.02 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.818 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -75.66 140.43 42.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 19' ' ' VAL . 88.4 t -99.76 4.2 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.0 t70 43.52 96.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -69.58 -24.58 63.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.28 -179.956 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.72 96.02 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 16.2 m-85 -139.7 146.87 49.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -79.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -86.52 84.81 7.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.643 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.578 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.8 m -94.03 141.24 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.6 p -152.7 172.86 5.08 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.383 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 37.77 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.46 -55.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.2 tp10 -59.01 -45.44 90.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.533 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -63.15 -42.18 99.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 108.296 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -80.1 -3.76 50.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' LYS . 21.4 t-20 -100.1 -35.07 9.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 3.1 tpt85 -61.36 -25.43 67.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.3 69.63 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 170.73 -155.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -123.64 152.75 41.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.6 t80 -115.33 174.47 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 24.7 t70 178.15 140.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -130.44 15.2 5.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -49.33 77.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.566 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.32 135.52 11.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -36.49 2.5 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.55 -41.66 1.74 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.031 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -93.64 171.67 6.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -33.71 -51.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.419 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.9 t -95.39 110.1 22.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.818 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.0 p90 -130.6 165.06 23.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.7 mtpt -71.33 165.11 51.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -74.98 119.31 5.6 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.791 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.5 tt -34.18 134.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.791 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 46.37 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.345 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.75 46.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.864 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.93 147.83 41.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.864 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 1.37 7.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.03 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.17 -19.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.47 10.65 31.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.522 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.03 16.28 3.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.669 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.2 mmt85 -76.64 112.25 13.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' ASP . 91.6 t -77.9 -4.89 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.5 t70 58.35 115.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.69 -24.07 27.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.329 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.09 99.57 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 17.9 m-85 -145.9 147.19 31.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -77.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.428 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -85.46 83.01 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.587 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 28.6 m -94.37 138.06 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.48 ' CG2' ' C ' ' A' ' 26' ' ' VAL . 4.3 p -152.36 169.36 9.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.638 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.73 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 27' ' ' THR . 7.8 tmtt? -178.04 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.2 tt0 -78.28 -40.03 38.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -72.77 -27.29 61.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 108.333 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.76 4.01 52.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 7.4 t30 -104.04 -41.89 5.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.83 -35.7 69.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.75 74.74 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 168.65 -160.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.5 m -119.42 154.07 34.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 108.308 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.638 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.7 t80 -120.41 174.52 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 12.4 t70 -177.29 145.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.613 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.3 p -135.26 13.37 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.75 -51.55 69.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.606 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 136.4 14.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.0 -36.52 2.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.51 -45.69 1.95 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.03 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.47 169.89 12.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 90.36 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.613 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -29.44 -57.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 107.998 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.409 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.4 t -89.94 116.67 28.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -138.58 164.82 28.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.3 mttt -66.26 163.41 39.37 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.01 120.65 6.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.765 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.2 tt -33.3 131.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.746 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.8 47.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.28 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.32 49.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.9 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.06 149.23 47.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.9 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 1.53 7.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.799 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.012 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.53 -21.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.498 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.62 10.8 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.521 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.68 16.98 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.676 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.2 mmt85 -75.88 116.63 16.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 87.7 t -81.58 -9.58 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.5 t70 58.21 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.77 -18.18 51.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.315 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.07 89.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.3 m-85 -139.24 147.5 53.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -70.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.499 1.789 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.584 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -91.76 86.32 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.944 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.2 m -98.52 131.12 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.58 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.6 p -144.62 172.68 5.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 39.72 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.25 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.584 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.6 tt0 -68.04 -40.9 82.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -67.46 -40.1 85.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 108.303 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 4.5 t30 -81.76 -6.77 59.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 29.0 t30 -94.7 -38.24 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.607 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.71 -26.46 65.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.01 72.24 0.31 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 171.04 -157.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.512 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -120.76 152.81 37.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.632 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.7 t80 -117.19 173.21 6.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.2 t70 -178.82 141.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.0 p -131.67 16.03 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.59 -51.43 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.578 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.25 136.38 13.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.03 -37.0 2.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.32 -41.49 1.09 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.012 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.46 170.18 8.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.555 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 91.78 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.8 m0 -30.65 -56.17 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 t -90.78 116.93 29.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.237 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.676 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -138.74 167.22 22.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -67.52 163.14 50.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.0 121.83 6.82 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.523 1.801 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.793 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -35.46 136.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.751 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.6 48.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 108.285 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.85 50.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.912 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.01 149.62 39.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.912 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.487 1.782 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.014 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.14 -25.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -89.31 8.49 30.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.83 21.49 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.813 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.9 mmt180 -75.78 132.91 40.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 1.9 t -90.48 -8.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.482 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.8 t0 53.96 104.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -10.31 59.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 108.273 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.53 79.04 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.621 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -145.81 146.16 27.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -77.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.68 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -67.97 97.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.575 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.7 m -126.23 124.6 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.571 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -139.54 174.34 4.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.07 38.97 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -176.97 -46.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.2 OUTLIER -69.75 -38.89 76.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -73.14 -26.64 61.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -97.11 5.01 51.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 40.4 t-20 -101.82 -40.59 6.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.621 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -60.45 -26.84 67.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 179.952 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.47 72.67 0.42 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.92 -155.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.475 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -125.81 149.36 48.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 108.298 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 76.9 t80 -117.27 174.09 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 18.0 t70 -178.64 146.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.61 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.9 p -137.08 13.71 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -48.66 80.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.559 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.92 134.73 13.06 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.445 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -36.7 2.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.74 -47.93 2.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.014 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -85.78 171.09 11.22 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 93.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.61 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.1 m0 -32.79 -54.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.8 t -93.61 112.23 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.316 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.813 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -132.54 165.22 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.485 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -68.02 163.89 46.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.485 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.02 122.88 7.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.049 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.791 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.8 tt -34.91 136.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.726 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.4 mp0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 5.4 tt0 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 49.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.336 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.34 57.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.93 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -97.86 149.56 35.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.93 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 -0.0 9.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.024 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.13 -25.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.88 6.2 40.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.741 ' HB3' HG12 ' A' ' 13' ' ' VAL . 7.0 t0 -131.3 21.83 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.43 132.51 39.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -92.83 -9.07 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.9 t0 55.39 107.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.19 -21.23 58.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 108.278 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.52 90.64 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 6.6 m-85 -139.53 147.71 53.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -70.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.643 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -91.5 85.21 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.619 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.8 m -97.67 132.03 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.551 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.2 p -146.73 171.43 6.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.614 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.77 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.0 tmtt? -176.96 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.643 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.5 tt0 -75.55 -37.13 60.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -74.58 -30.13 61.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.271 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.422 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -89.26 -3.83 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 29.6 t30 -100.56 -40.97 7.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.608 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.27 -29.18 57.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.96 73.73 0.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.86 -159.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.472 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -119.01 152.14 36.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.312 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.2 t80 -116.33 173.06 6.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.7 t70 -179.47 142.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.625 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.9 p -132.17 14.94 4.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -51.29 70.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.589 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 137.1 14.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.05 -38.19 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.16 -43.27 1.37 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.024 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -91.52 169.43 11.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.552 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 91.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.769 . . . . 0.0 111.002 -179.935 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.87 -53.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -93.78 112.8 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.7 p90 -132.88 165.25 25.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.3 mttt -66.38 164.82 27.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.98 122.05 6.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.698 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -31.23 139.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.976 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.49 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.4 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -114.29 47.63 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 108.345 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.51 42.57 1.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.982 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.68 152.1 41.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.982 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.05 -60.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.086 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 162.93 -22.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.226 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.26 0.78 57.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.547 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -117.03 10.09 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.737 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.3 mmt85 -77.36 116.66 18.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' ASP . 17.7 t -83.3 -5.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.3 t0 57.14 114.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -22.25 26.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.66 95.73 0.05 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 14.7 m-85 -143.59 143.8 25.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.788 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.95 -71.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.43 1.753 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 83.66 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 109.581 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.58 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.2 m -97.07 139.25 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.659 ' HG1' ' H ' ' A' ' 30' ' ' GLU . 11.0 p -149.48 169.28 9.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 35.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -174.97 -47.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.659 ' H ' ' HG1' ' A' ' 27' ' ' THR . 0.4 OUTLIER -69.42 -31.86 70.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.652 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -79.45 -29.16 41.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.973 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.478 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.1 m-80 -94.42 0.64 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 39.5 t30 -103.43 -40.51 6.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -28.34 63.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 124.15 74.68 0.26 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 168.94 -158.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -122.75 154.09 38.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.326 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.9 t80 -119.55 175.63 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.1 t70 177.43 142.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.669 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.6 p -139.53 18.37 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -32.56 71.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.56 HD13 ' CG2' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -152.85 125.68 4.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.488 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -34.17 4.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.771 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.51 -30.03 1.31 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.086 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -104.47 173.37 3.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.506 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.2 Cg_endo -75.0 92.48 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.669 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -34.48 -56.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.016 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.442 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.3 t -91.85 109.6 20.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.737 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.1 p90 -130.35 164.14 25.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -60.78 162.38 12.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.49 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.96 122.44 7.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.735 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -35.63 132.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.971 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -117.18 42.78 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.76 38.36 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.971 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -91.58 152.01 43.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.971 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.03 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 159.88 -22.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 4.16 54.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.541 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -121.31 10.32 10.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.741 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.1 mmt85 -76.17 122.86 24.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.1 t -88.52 -8.74 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.7 t0 58.55 115.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.42 -25.63 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.93 90.17 0.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.4 m-85 -137.67 148.55 61.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -75.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -89.14 84.91 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 31.5 m -95.65 139.39 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.635 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.6 p -151.57 173.52 4.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.617 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 37.44 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.61 -54.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.96 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HB3' HG23 ' A' ' 27' ' ' THR . 4.1 tt0 -61.83 -33.73 74.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.635 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.33 -37.11 53.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.312 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.463 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -83.58 -5.36 59.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' LYS . 54.9 t-20 -100.59 -37.42 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.538 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 5.0 tpt85 -57.74 -26.1 61.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.35 71.77 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 168.17 -157.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.88 154.29 36.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 108.308 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.617 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.6 t80 -118.27 174.97 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.2 t70 178.32 140.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.634 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.4 p -136.04 18.29 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.049 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -34.82 79.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.514 ' CD1' HG22 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -154.66 131.11 5.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 -33.94 4.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.17 -38.18 2.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.03 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.05 172.09 5.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -75.01 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.634 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -33.44 -54.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.018 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.4 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.9 t -94.16 112.65 24.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 179.974 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.741 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.5 p90 -133.14 165.09 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -63.63 162.79 24.69 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 120.45 6.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.788 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.739 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -37.44 138.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.942 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.5 47.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.81 51.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.24 150.31 42.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.91 1.43 7.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.003 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.87 -27.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 -179.918 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.38 8.23 28.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.51 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.04 20.53 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.8 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -76.05 127.52 33.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.9 t -88.3 -3.43 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 39.78 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -15.86 63.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.99 100.9 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 17.5 m-85 -139.19 146.36 48.78 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.75 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -84.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -81.21 82.66 7.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.3 m -91.28 136.37 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.3 p -150.55 169.44 9.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.621 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.58 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.486 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.55 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.517 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.2 tt0 -79.53 -37.05 37.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.41 -28.04 60.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 108.277 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.9 m-80 -91.36 -3.29 56.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.9 t-20 -100.68 -42.73 6.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.593 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.46 -24.61 20.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.69 73.82 0.51 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 172.56 -155.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.975 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.7 m -124.91 149.61 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.621 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -115.88 173.69 6.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 18.6 t70 -178.01 143.56 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.615 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.8 p -134.85 13.73 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -47.06 87.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.551 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.65 133.91 12.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 -37.02 2.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.54 -47.07 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.003 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.26 170.81 11.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 92.69 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.615 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -31.84 -52.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.979 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.475 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.0 t -93.66 127.07 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 108.303 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.8 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -149.25 164.11 35.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -65.47 163.5 32.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.02 122.16 7.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.546 1.814 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.781 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -35.59 133.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.621 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.409 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.16 44.18 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 108.27 179.999 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.79 40.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.976 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -90.71 152.51 44.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.976 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.05 -57.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.092 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 158.7 -21.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -1.5 54.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -115.13 11.14 16.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.723 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -76.31 115.49 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' ASP . 10.2 t -81.54 -10.56 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.9 t0 59.51 116.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.35 -27.18 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.252 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.88 90.27 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.937 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.2 m-85 -137.51 148.01 59.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.44 0.729 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -76.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -85.99 82.2 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.648 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.584 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.8 m -93.27 137.45 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.1 p -151.22 168.9 10.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.63 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.0 Cg_endo -75.09 39.91 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -178.34 -39.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.2 tp10 -78.63 -39.89 35.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.71 -33.71 71.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 -179.998 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -87.36 -3.1 59.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.1 t30 -100.19 -41.49 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.467 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.6 -25.58 39.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.34 73.59 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.68 -157.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.971 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -121.41 151.69 39.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 76.0 t80 -117.12 173.28 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.4 t70 -179.97 144.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.631 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.5 p -137.26 14.48 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.9 -39.05 80.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.618 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -154.04 134.61 8.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -36.7 2.41 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.21 -36.47 0.91 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.092 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.95 170.79 6.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 90.84 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.631 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -31.75 -55.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.61 111.33 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.32 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.723 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -131.92 164.8 25.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.9 mtpt -62.53 162.86 17.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.96 124.88 8.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.056 179.949 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.801 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -37.53 128.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.662 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 52' ' ' LEU . 5.0 pt20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.434 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -107.86 40.6 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.307 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.13 55.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.98 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.91 150.63 38.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.98 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -0.91 10.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.052 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.28 -25.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -89.0 8.08 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.729 ' HB3' HG12 ' A' ' 13' ' ' VAL . 9.3 t0 -134.14 22.39 3.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.818 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -75.73 140.72 42.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.7 t -97.48 -2.4 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.462 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 46.9 97.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -22.23 64.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.91 93.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.9 m-85 -139.59 148.99 58.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -74.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.811 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.602 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -89.59 86.12 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.0 m -97.3 132.96 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.55 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.6 p -146.41 171.64 6.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 40.12 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.92 -48.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.602 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 2.9 tt0 -68.62 -42.73 77.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -66.53 -35.14 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 108.278 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.448 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -87.85 -1.8 58.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.9 t-20 -98.94 -38.95 8.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -60.45 -28.83 68.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.98 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.96 74.69 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.81 -159.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -121.22 151.13 40.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 108.304 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.0 t80 -115.52 173.86 6.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.558 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.5 t70 179.33 143.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.624 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.5 p -134.0 14.83 3.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -47.39 85.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.319 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.505 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.22 133.48 10.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -37.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.64 -39.6 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.052 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -95.09 171.83 6.12 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.95 92.93 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.453 1.765 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -33.46 -51.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.96 110.76 22.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 108.3 -179.975 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.818 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.0 p90 -131.27 163.11 28.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -68.24 164.24 44.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.939 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.93 118.18 5.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.821 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.751 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.6 tt -32.11 125.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.662 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 3.0 pt20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.63 45.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.245 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.18 48.22 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.92 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.47 149.96 45.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.92 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 2.96 6.03 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.842 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.41 -27.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.85 9.83 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.17 20.05 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.814 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.1 mmt180 -76.63 131.75 39.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ASP . 46.9 t -88.58 -5.34 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t0 52.38 102.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -9.04 56.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 108.321 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.83 80.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.604 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -147.83 143.76 18.21 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.545 0.791 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.01 -80.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -62.41 94.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.968 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 26.7 m -127.0 124.99 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.58 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 0.7 OUTLIER -139.32 174.58 3.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.984 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.626 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.92 37.16 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.4 -44.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -72.24 -32.64 66.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -80.57 -27.08 37.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 179.999 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.517 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.6 m-80 -94.9 1.67 55.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.9 t-20 -101.9 -40.92 6.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.604 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.07 -23.94 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 179.996 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.96 75.74 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.08 -154.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.548 ' SG ' ' NE2' ' A' ' 10' ' ' GLN . 12.0 m -127.21 149.16 50.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 -179.992 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.626 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.6 t80 -116.67 174.47 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.3 t70 179.12 144.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.624 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -135.67 15.83 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.33 -47.92 80.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.64 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.49 132.83 13.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.952 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 -37.87 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.37 -42.66 2.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.842 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -89.1 171.04 9.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.495 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.99 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.0 m0 -34.44 -53.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.03 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.9 t -94.82 112.13 23.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.322 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.814 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.7 p90 -131.65 168.88 16.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.514 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.3 mtpt -73.31 164.76 58.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.93 123.82 8.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.456 1.766 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.785 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.9 tt -34.34 134.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.753 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.3 mp0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.83 46.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.7 52.81 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.01 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.02 151.46 45.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.01 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.05 1.37 7.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.018 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.87 -27.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 8.57 25.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.509 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -132.15 19.72 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.817 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.0 139.99 41.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 19' ' ' VAL . 59.0 t -99.9 -1.72 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.3 t0 47.68 98.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -24.94 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.53 92.98 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.115 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.0 m-85 -138.75 149.67 62.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -76.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -88.81 84.75 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.618 179.995 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.9 m -94.64 128.96 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.52 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 7.3 p -142.0 169.26 11.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.96 38.97 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -176.57 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.432 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tp10 -78.75 -38.8 37.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -71.49 -31.52 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.46 HD22 ' N ' ' A' ' 29' ' ' LYS . 2.3 m-80 -87.3 -6.61 58.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.7 t-20 -99.7 -40.81 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.554 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 5.2 tpt180 -54.79 -27.08 38.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.82 73.23 0.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 168.38 -159.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.996 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.4 m -119.54 151.36 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.4 t80 -115.8 173.57 6.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.8 t70 179.91 143.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.608 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.6 p -133.68 15.22 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -58.83 -48.6 80.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.533 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.82 134.87 11.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.444 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 -37.46 2.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.23 -41.84 1.57 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.018 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.72 171.59 7.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.02 93.24 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.449 1.762 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.608 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -33.68 -52.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.013 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -95.09 110.59 22.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.288 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.817 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -130.79 163.28 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.9 mtpt -66.37 164.4 31.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 117.07 4.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.436 1.756 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.818 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -32.22 129.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.604 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -111.18 44.56 1.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.92 56.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.993 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -97.12 151.13 37.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.993 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 2.96 6.05 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.746 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.09 -26.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.92 7.69 29.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -132.36 21.23 4.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.787 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -76.55 135.62 39.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.957 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.8 t -93.54 -3.73 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.3 t70 49.2 98.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.6 -28.72 66.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 179.96 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.55 91.4 0.11 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.575 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.0 m-85 -137.09 148.14 61.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -75.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -89.08 84.79 6.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.986 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.575 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.8 m -94.98 139.24 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.632 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.7 p -152.5 173.17 4.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.507 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 37.72 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' N ' HD22 ' A' ' 32' ' ' ASN . 1.7 tmmm? -177.13 -53.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB3' HG23 ' A' ' 27' ' ' THR . 4.4 tt0 -62.84 -34.86 78.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.632 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -76.74 -36.1 57.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.983 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.53 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.1 m-80 -87.86 1.32 54.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' LYS . 19.8 t-20 -104.15 -37.53 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -28.73 68.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.24 -179.952 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 124.82 73.52 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.13 -158.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.964 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 m -121.15 153.11 37.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 77.4 t80 -116.63 174.7 5.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 12.9 t70 176.72 141.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.635 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.7 p -134.48 18.19 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -62.96 -44.55 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.999 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.721 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.36 131.07 9.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.0 -38.03 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.557 1.82 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.63 -28.09 0.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.445 1.09 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.746 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.71 171.27 5.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.33 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.797 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.635 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -34.96 -53.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.019 -179.989 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -94.18 109.03 20.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 108.297 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.787 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.5 p90 -128.96 163.46 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -65.61 162.69 40.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.98 117.45 4.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.747 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.6 tt -33.2 130.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.954 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.721 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.7 45.52 1.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.31 -179.978 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.46 53.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.995 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.95 151.4 41.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.995 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 1.18 8.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.015 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.79 -27.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.93 5.85 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -129.58 20.55 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.802 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -76.47 133.31 39.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.56 -8.04 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.462 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 54.63 105.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -11.71 60.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 108.253 -179.956 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.5 80.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.137 . . . . 0.0 111.045 -179.951 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.682 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -146.36 146.4 27.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 0.0 111.008 -179.963 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.483 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.0 -87.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.427 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -56.61 85.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 -179.947 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.534 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.1 m -115.12 120.75 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -138.93 173.13 5.52 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 35.3 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -172.79 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.88 -36.07 56.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.525 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.61 -25.2 49.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.466 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.2 m120 -96.36 -0.1 49.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 11.6 t30 -97.89 -45.73 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.682 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -53.56 -35.2 60.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.23 71.96 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.8 -157.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.8 m -122.75 148.45 45.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.271 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.8 t80 -116.74 174.36 6.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.2 t70 -179.83 146.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.622 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.3 p -138.57 13.62 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -60.4 -45.92 91.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.235 -179.98 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.554 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -144.77 134.33 11.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.453 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -36.47 2.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.528 1.804 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.49 -46.78 2.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.015 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.84 170.9 11.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 92.65 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.813 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.622 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -32.24 -54.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.2 t -93.55 112.74 24.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.325 179.961 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.802 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -132.37 166.28 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.522 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.2 mttt -68.63 164.72 42.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.07 122.37 7.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.445 1.761 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.768 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -33.21 135.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.572 ' N ' HD23 ' A' ' 52' ' ' LEU . 3.1 mp0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.5 pt20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.88 45.39 1.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 108.297 179.95 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.8 52.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.81 150.12 38.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.045 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.14 -28.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.48 10.32 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.513 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -133.66 19.22 3.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.823 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.41 134.88 39.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 48.4 t -94.79 -4.63 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 52.85 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -23.32 56.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.302 179.967 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.23 94.16 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 m-85 -139.02 147.9 55.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -76.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.506 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -88.36 83.84 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 -179.998 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.1 m -93.42 138.16 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.626 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.0 p -152.54 172.87 5.05 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.511 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.03 38.43 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.48 -52.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.477 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.9 tt0 -64.14 -34.58 78.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.626 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.76 -31.39 51.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 108.263 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.556 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.4 m-80 -92.22 0.87 57.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' LYS . 34.7 t30 -102.75 -40.35 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -28.25 63.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.07 73.85 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.095 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.96 -157.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.971 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.4 m -123.42 152.67 41.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.552 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 79.5 t80 -117.44 174.3 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.4 t70 177.92 140.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.622 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.9 p -132.26 15.7 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 -179.928 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -59.49 -48.51 81.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.96 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.567 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.0 135.84 12.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.99 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -37.56 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.555 1.819 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.63 -44.35 1.78 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.045 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -90.43 170.48 10.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 92.97 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.622 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -32.31 -53.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 t -94.28 110.8 22.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.823 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -130.64 162.94 28.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 26.3 mtpt -66.8 165.15 27.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.05 120.13 5.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.429 1.752 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.781 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.3 tt -33.2 139.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.781 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.5 mp0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.972 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.86 46.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.259 179.973 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.02 54.95 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.998 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.51 151.35 40.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.961 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.998 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.97 2.36 6.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.946 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.03 -27.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.02 5.33 41.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -129.08 20.51 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.803 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -76.34 136.14 39.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.8 t -93.29 -5.45 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.9 t0 52.5 102.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.941 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -10.9 60.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.303 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.66 77.08 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -143.43 145.94 33.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 111.015 179.959 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -78.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.683 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -66.62 97.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.59 179.982 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.3 m -126.1 123.87 64.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.561 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -138.43 174.07 4.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.432 179.933 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.644 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 39.51 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.432 1.754 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.0 OUTLIER -178.05 -47.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.1 OUTLIER -69.18 -40.88 77.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -68.18 -28.37 67.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 108.331 -179.966 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 18.3 t30 -95.67 1.98 53.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -94.45 -39.31 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -63.88 -24.29 67.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.84 71.23 0.51 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.112 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.7 -154.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.2 m -127.81 148.09 50.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.4 t80 -115.57 174.15 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.9 t70 -179.67 145.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.2 p -134.44 13.27 3.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 ttt85 -58.85 -53.71 55.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.641 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -138.64 135.79 18.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -37.32 2.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.41 1.742 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.72 -47.94 3.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.946 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -84.53 170.77 12.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 93.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.562 1.822 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.0 m0 -34.46 -53.35 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 7.2 t -95.08 109.3 21.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 108.315 179.998 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.803 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -128.51 165.46 20.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -67.34 163.56 45.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.486 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -74.99 118.87 5.42 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.786 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -34.3 130.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.567 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.475 ' CD ' ' N ' ' A' ' 10' ' ' GLN . 5.6 mm-40 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.53 47.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.72 48.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.872 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.94 148.58 39.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.872 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.95 0.19 9.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.003 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.37 -23.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 12.28 21.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.54 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -135.22 16.06 3.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.671 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.0 mmt85 -76.26 114.53 15.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.927 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 89.6 t -78.62 -7.92 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.449 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.3 t0 58.47 115.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.491 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -84.12 -19.1 34.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.998 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.16 91.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 15.0 m-85 -136.84 145.89 52.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 111.046 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -77.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.459 1.768 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -85.96 82.49 8.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.976 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.3 m -92.45 138.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.3 p -151.36 172.67 5.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.04 39.36 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -178.88 -55.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.485 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.1 tt0 -59.5 -45.88 90.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -61.68 -37.49 84.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.334 179.989 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 19.7 t-20 -89.2 1.53 55.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' LYS . 53.5 t-20 -98.75 -35.96 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -64.38 -28.61 69.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.82 71.41 0.18 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 172.83 -157.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.965 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -123.46 154.03 39.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.6 t80 -117.7 173.87 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.0 t70 -178.18 141.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.611 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.1 p -132.5 16.31 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -60.58 -49.78 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.569 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.44 135.73 12.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -36.82 2.33 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.468 1.773 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.46 -41.12 1.07 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.003 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.09 169.93 9.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.03 90.31 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.611 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.24 -57.13 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.409 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.7 t -89.97 117.68 28.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.671 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.4 p90 -139.87 165.51 27.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.2 mttt -67.17 163.21 47.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 123.56 7.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.769 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -34.77 131.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.542 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 10.3 pt20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.447 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -117.01 47.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.277 -179.997 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.35 45.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.855 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.14 146.64 43.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.855 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -0.36 9.87 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.082 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.41 -15.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.72 6.39 48.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.672 ' HB3' HG12 ' A' ' 13' ' ' VAL . 3.4 t70 -132.68 20.03 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.645 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.54 120.55 21.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 91.6 t -83.14 -11.0 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.469 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.4 t0 58.53 115.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.38 -19.87 45.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 108.246 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 66.99 90.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.5 m-85 -140.17 146.86 47.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -69.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -91.45 84.38 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 179.994 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.5 m -97.27 133.25 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.537 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -148.51 170.25 7.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.05 38.46 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -176.68 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.512 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.0 tt0 -80.49 -36.45 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.45 -31.79 60.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.252 -179.96 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.648 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.1 p30 -87.86 -3.1 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 24.0 t30 -100.97 -40.5 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.607 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.7 -28.69 57.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.27 73.64 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.5 -158.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.969 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.79 152.72 36.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.3 t80 -118.41 173.54 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.553 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.9 t70 -178.11 143.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.625 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.6 p -134.15 15.12 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -50.9 72.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.602 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.77 137.0 13.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.07 -37.05 2.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.95 -43.38 1.29 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.082 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.95 169.28 11.34 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 0.794 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 90.84 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.538 1.809 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.9 m0 -29.49 -55.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.2 118.81 30.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 108.286 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.645 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -140.93 168.16 20.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.5 mttt -71.43 164.07 60.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 125.72 9.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.787 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.706 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -33.75 142.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.99 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.531 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.7 tt0 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.38 47.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 -179.942 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.89 46.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.943 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.898 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.43 147.63 47.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.961 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.898 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.06 1.98 7.17 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.988 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.42 -17.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.26 9.34 40.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.517 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.13 18.38 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.659 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.1 mmt85 -75.29 119.99 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 20' ' ' ASP . 47.6 t -79.96 -9.41 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.499 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.7 t0 54.93 106.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -9.46 58.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 179.967 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.91 86.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.609 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -150.32 147.43 21.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.94 -80.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.677 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -66.57 97.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.53 -179.975 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.2 m -125.4 123.69 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.587 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -139.12 176.64 2.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.64 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.97 35.93 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -177.01 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 0.4 OUTLIER -68.43 -37.51 80.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.548 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -73.5 -27.44 61.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 20.9 t-20 -94.98 1.58 55.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -93.0 -39.52 11.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -63.03 -25.77 68.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.83 70.82 0.47 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.75 -154.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.965 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.0 m -125.86 150.18 48.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 108.304 179.988 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.64 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.3 t80 -117.81 173.86 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.568 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.8 t70 -175.72 147.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.603 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.0 p -137.48 11.88 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.984 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -59.74 -52.11 66.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.571 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.75 134.23 14.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.475 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -36.05 2.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.94 -46.12 2.26 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.988 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.14 171.25 10.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 90.4 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.603 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.2 m0 -30.33 -57.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 179.998 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.45 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.5 t -89.54 120.46 30.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.293 179.984 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.659 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.6 p90 -142.71 166.98 23.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 19.5 mtpt -70.52 165.93 40.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.93 128.14 11.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.437 1.756 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.723 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -36.4 137.13 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 14.0 pt20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.426 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 2.3 m -116.3 47.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 -179.949 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.32 51.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.963 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.69 150.75 41.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.963 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 2.96 6.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.883 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.83 -27.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.81 5.76 38.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.519 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -130.21 21.15 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.799 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -76.57 130.88 38.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' ASP . 4.3 t -87.53 -7.09 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t0 54.14 105.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -11.67 60.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.286 -179.975 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.15 76.29 0.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.159 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -143.34 144.88 29.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.985 -179.96 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -79.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.695 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -64.65 96.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.619 179.954 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.51 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.9 m -126.38 125.8 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.57 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.74 173.17 5.35 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 -179.966 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.644 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 39.94 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.01 -47.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.36 -40.44 74.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.4 -28.32 64.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 108.311 179.998 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -93.88 -1.29 55.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -96.26 -41.26 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.606 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.53 -23.36 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.91 72.91 0.61 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.16 -153.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 13.8 m -127.53 147.55 50.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.269 179.998 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.0 t80 -116.22 174.31 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.0 t70 178.98 144.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.624 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.8 p -135.8 16.43 3.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -47.77 77.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.63 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -141.33 133.3 13.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.96 -38.41 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.47 -44.58 2.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.883 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -87.26 170.3 12.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 92.7 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.3 m0 -33.55 -53.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.015 179.959 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.488 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.9 t -95.15 110.57 22.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 108.33 -179.995 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.799 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -129.34 168.83 15.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.947 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -71.03 162.94 69.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.97 120.02 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.765 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.5 tt -34.69 135.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.723 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.2 mt-30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.84 46.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 108.292 -179.98 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.68 46.74 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.934 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.87 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.56 147.89 38.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.87 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 -0.42 9.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.02 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 91.14 -23.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.97 9.93 31.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.538 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -133.3 17.34 4.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.4 mmt85 -75.77 119.83 20.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -83.7 -9.55 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 59.47 119.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.2 -20.41 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.58 90.73 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.4 m-85 -139.76 147.62 52.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.621 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -91.62 85.76 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.595 -179.972 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.4 m -97.85 128.24 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.7 p -141.53 170.42 9.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.5 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.74 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.621 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -78.11 -37.02 47.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.982 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.534 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -73.94 -29.52 62.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 179.971 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.471 HD22 ' N ' ' A' ' 29' ' ' LYS . 2.1 m-80 -90.02 -3.56 57.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 28.7 t30 -101.06 -40.68 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.588 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.23 -27.05 43.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.71 72.97 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.53 -158.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.97 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.06 153.59 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.8 t80 -118.56 173.87 6.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.1 t70 -178.39 144.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.6 p -135.99 15.54 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -48.14 82.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.603 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.82 137.11 12.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 -37.46 2.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.45 -45.78 1.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.02 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -89.4 169.03 13.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.355 179.973 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 91.04 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.26 -55.99 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.05 118.31 30.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.998 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 9.1 p90 -140.48 167.98 20.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -71.65 163.0 69.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.01 124.56 8.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.547 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -31.49 136.52 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 110.27 179.992 . . . . . . . . 0 0 . 1 . 054 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.4 mt-30 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.26 43.34 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.87 53.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.991 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.0 151.08 40.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.991 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 1.16 8.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.013 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.12 -26.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.57 6.99 35.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -131.04 20.92 4.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.819 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.3 mmt180 -76.16 138.08 40.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 19' ' ' VAL . 69.3 t -96.68 -3.66 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.466 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 7.3 t0 49.69 99.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.19 -24.68 62.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.52 93.48 0.05 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.064 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.4 m-85 -138.07 147.39 55.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.538 0.787 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -89.82 84.09 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.634 179.933 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 21.8 m -94.1 139.06 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.644 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.9 p -151.44 173.65 4.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.633 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 36.22 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.8 tmtm? -177.6 -53.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.4 tt0 -61.83 -32.26 72.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.644 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -78.35 -39.98 37.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 108.319 -179.973 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.65 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.2 p30 -85.1 1.66 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LYS . 5.0 t30 -105.42 -36.5 7.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -25.44 66.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 123.8 70.6 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 169.83 -156.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 180.0 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.2 m -123.33 153.6 40.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.633 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.4 t80 -117.45 174.26 6.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.2 t70 179.81 141.16 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.609 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.5 p -130.2 13.81 5.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -53.31 59.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.621 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.91 137.45 16.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.94 -38.08 1.78 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.039 179.962 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.15 -46.57 1.89 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.013 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.84 170.8 10.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 054 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 93.93 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -33.69 -51.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.954 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 t -95.31 111.7 23.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 -179.988 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.819 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -132.18 162.21 31.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.3 mtpt -66.37 164.96 26.52 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.04 120.07 5.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.464 1.77 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.764 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.3 tt -35.35 125.54 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.659 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 4.7 tt0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.59 47.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 108.291 -179.999 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.29 55.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.004 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.32 151.52 40.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.004 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 1.91 7.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.809 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.015 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.73 -27.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 3.92 46.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.506 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -128.1 21.58 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.801 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -77.07 135.21 38.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 1.6 t -94.15 -8.16 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.0 t0 54.65 105.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -13.47 61.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.75 78.54 0.12 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.694 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -145.52 146.78 30.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.971 -179.969 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.02 -86.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.99 85.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.958 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.547 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.6 m -113.85 118.92 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.559 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -137.57 173.09 5.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.965 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.649 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 37.0 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.757 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.0 tmtm? -174.5 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 3.3 tt0 -77.18 -37.52 53.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.958 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.93 -27.85 60.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.931 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.434 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -94.11 -1.47 54.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.8 t30 -95.02 -44.95 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.694 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.5 -34.97 62.6 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.48 69.99 0.19 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.98 -157.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.97 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.1 m -122.44 147.94 45.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.247 -179.948 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.649 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.1 t80 -116.66 173.51 6.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.6 t70 -178.63 148.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 86.3 p -138.51 13.77 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -49.54 77.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.566 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -141.81 135.05 14.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.967 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.35 -46.64 2.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.015 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.43 170.43 12.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 92.87 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -32.6 -54.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.014 179.97 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.4 t -93.67 111.03 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 -179.999 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.801 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -130.68 165.59 22.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -67.57 164.78 35.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.0 121.72 6.76 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.788 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.3 tt -34.94 128.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.0 47.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 108.289 179.985 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.25 40.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.992 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.02 153.09 43.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.992 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 -59.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.009 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.16 -23.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 0.87 57.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -118.29 12.04 13.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.757 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.8 mmt85 -76.85 106.04 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.5 t -66.53 -12.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.52 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 51.2 t0 60.01 116.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -14.59 56.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 108.341 179.986 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.91 70.15 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -137.61 143.64 41.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.561 0.801 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.1 Cg_endo -75.03 -81.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.682 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -64.08 96.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.637 179.971 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' A' ' 48' ' ' CYS . 18.6 m -126.17 136.33 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.634 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 10.1 p -143.36 170.92 7.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.06 36.09 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.97 -48.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 3.1 tp10 -67.78 -29.92 69.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.634 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -81.45 -28.74 34.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.995 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.74 3.0 56.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -104.07 -36.2 7.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.58 -27.47 68.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.73 70.73 0.27 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.134 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.96 -155.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.991 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -126.4 154.55 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.659 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 61.5 t80 -120.68 175.09 6.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.582 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 7.9 t70 179.3 143.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.647 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -135.95 15.42 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.15 -40.27 97.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.725 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.2 130.45 6.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -29.72 7.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.51 -28.23 4.76 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.946 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.009 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -104.76 172.07 4.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.04 88.77 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.647 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.1 m0 -31.49 -55.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.986 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.563 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.8 t -93.47 110.29 21.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.342 179.987 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.757 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.8 p90 -131.28 165.8 22.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.6 mttt -63.62 161.85 32.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.436 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.96 125.42 9.34 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.742 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -37.37 130.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.78 47.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.77 51.23 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.922 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.89 149.75 40.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.985 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.922 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.95 1.79 7.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.02 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.8 -25.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.94 10.14 22.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.24 20.11 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.796 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -75.79 126.09 30.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' ASP . 43.7 t -87.34 -3.35 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.482 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 3.1 t70 39.85 91.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -16.22 64.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.996 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.91 103.07 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 19.2 m-85 -142.07 145.23 35.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -82.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -82.17 83.17 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.657 179.98 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.7 m -92.33 138.76 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.546 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.1 p -152.57 170.01 8.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 39.34 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.92 -43.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.7 tt0 -73.61 -42.2 61.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.8 -34.42 76.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.29 -179.979 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -86.35 -4.66 59.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 19.8 t-20 -98.46 -39.95 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -58.17 -23.28 54.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.47 73.16 0.5 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 172.79 -155.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.996 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -125.59 149.06 48.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.632 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.6 t80 -115.4 173.66 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.55 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.1 t70 -177.66 141.73 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.594 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.7 p -132.38 14.87 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -49.44 77.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.06 134.07 13.52 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -36.04 2.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.16 -46.89 3.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.02 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.73 171.14 10.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.542 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 92.34 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.594 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.47 -52.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.989 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.463 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.5 t -93.69 126.97 39.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 108.328 -179.982 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.796 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -149.2 164.5 34.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -65.63 163.6 33.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.0 122.84 7.46 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.789 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.3 tt -35.04 129.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.477 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -106.39 43.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.967 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.6 44.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.021 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -96.49 157.24 35.73 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.021 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -59.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.87 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.0 -25.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 -8.13 52.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.457 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -109.29 14.37 23.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.796 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 3.5 mmt180 -77.49 104.62 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.435 HG11 ' HE3' ' A' ' 50' ' ' LYS . 2.8 t -62.33 -14.3 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 64.9 t0 59.79 115.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.58 -10.11 59.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 108.328 -179.994 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.96 70.54 0.89 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -136.68 144.08 45.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -81.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.679 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -63.87 97.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.563 -179.977 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 48' ' ' CYS . 21.4 m -126.75 134.59 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.721 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 11.6 p -142.76 169.36 10.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.652 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.02 36.54 0.44 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.31 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.512 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.34 -26.91 62.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.721 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -82.01 -28.87 32.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.325 179.986 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.427 HD22 ' CA ' ' A' ' 29' ' ' LYS . 2.0 m-80 -92.44 4.73 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -103.76 -35.14 8.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.63 -28.21 69.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.981 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.46 70.84 0.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.045 -179.953 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.32 -155.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -126.08 155.54 41.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 65.0 t80 -120.97 175.21 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 24.1 t70 178.43 143.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.644 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.7 p -134.36 13.71 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -43.46 95.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.852 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -148.39 131.52 8.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 -35.48 3.13 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.09 -25.45 1.05 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.87 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.46 171.37 4.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 0.0 109.285 -179.931 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 89.46 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.644 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.7 -53.91 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 108.022 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.534 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.4 t -94.59 109.09 21.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 108.328 179.947 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.796 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 3.7 p90 -129.47 165.89 20.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 6.0 mttt -65.18 161.5 48.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.96 123.69 8.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.797 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.3 tt -38.19 127.86 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.464 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.924 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.9 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 49.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.326 179.983 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.74 50.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.91 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.29 148.68 41.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.91 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 0.73 8.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.003 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.82 -21.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.7 12.53 23.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -136.11 16.59 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.674 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.0 mmt85 -75.85 118.96 19.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.6 t -82.27 -9.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 57.23 110.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -19.6 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 108.316 179.988 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.2 93.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.8 m-85 -139.54 147.05 50.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -73.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -89.48 85.62 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.618 179.959 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.564 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 21.5 m -96.5 139.11 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.608 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.2 p -151.53 172.92 4.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 38.35 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.11 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.9 tt0 -60.08 -44.16 94.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -65.07 -41.14 95.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 180.0 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -82.0 -2.45 51.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.358 179.977 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LYS . 49.5 t-20 -101.09 -36.06 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.54 -27.07 67.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 -179.99 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.2 70.55 0.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 169.95 -157.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -179.955 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -121.14 154.13 36.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.282 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.7 t80 -118.34 174.74 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.8 t70 -178.68 142.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.61 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.5 p -133.85 15.83 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -49.21 78.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.572 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.94 135.07 11.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.99 -35.5 3.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.41 -42.81 1.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.003 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.69 170.89 8.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.55 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 91.87 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.61 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.2 m0 -31.02 -56.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 107.988 -179.973 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.4 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.0 t -89.92 118.44 29.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 108.264 179.984 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.674 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.4 p90 -140.65 165.32 27.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.939 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.517 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.1 mtpt -67.27 165.02 31.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -74.97 126.78 10.21 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -35.55 144.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 059 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.974 . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' LEU . 13.0 pt20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.7 OUTLIER -113.32 44.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.321 179.985 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.65 42.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.902 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.02 147.66 58.42 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.902 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 2.36 6.71 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.07 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.33 -18.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.509 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.3 11.0 31.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.5 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.11 17.24 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.665 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.5 mmt85 -76.02 119.01 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 55.4 t -82.85 -8.1 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.447 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.1 t0 57.45 112.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -21.66 40.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 108.279 -179.958 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 68.83 93.11 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.8 m-85 -138.42 146.74 52.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -78.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -85.64 81.53 8.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.582 -179.98 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 19.7 m -90.35 140.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.623 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.9 p -152.59 173.2 4.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 37.01 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -177.76 -53.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.502 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.6 tt0 -62.0 -33.76 74.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.623 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.72 -38.17 47.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.645 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.8 p30 -88.89 5.65 42.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LYS . 11.6 t30 -107.78 -38.07 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.95 -27.43 66.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 127.02 72.13 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 -179.981 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 168.94 -157.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.98 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.7 m -122.39 155.2 36.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.953 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.2 t80 -120.13 174.51 6.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.1 t70 -178.22 145.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.634 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.7 p -134.73 12.4 3.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 -179.974 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -51.63 68.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.621 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.7 137.06 13.32 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.92 -35.95 2.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.51 -42.94 1.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.07 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.36 169.99 9.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 060 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 90.64 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.634 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.2 m0 -29.81 -56.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 108.032 179.993 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 t -89.78 118.74 29.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.323 179.968 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.665 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.1 p90 -141.6 166.76 23.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.5 mttt -71.64 164.08 60.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.03 124.59 8.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.2 tt -32.9 141.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.797 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.95 46.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.312 179.968 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.03 43.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.851 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.86 147.37 45.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.851 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.97 -0.52 10.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.087 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.45 -18.28 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.516 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.81 7.53 45.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.715 ' HB3' HG12 ' A' ' 13' ' ' VAL . 3.8 t70 -133.05 19.41 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.0 mmt85 -76.22 99.23 4.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' ASP . 39.1 t -63.14 -15.46 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.3 t0 56.11 112.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.43 -15.67 42.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 108.279 -179.995 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.13 102.78 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 20.3 m-85 -141.99 145.27 35.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -85.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -79.3 81.06 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.592 179.987 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 19.8 m -89.58 137.59 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.567 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.7 p -151.74 171.58 6.41 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 40.07 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -179.86 -46.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.473 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.9 tt0 -68.8 -43.34 75.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -66.19 -31.98 73.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.995 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 5.4 t-20 -92.4 -0.53 57.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 11.3 t-20 -96.56 -39.38 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.23 -24.7 67.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.59 75.09 0.44 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.44 -159.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -123.28 149.45 44.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.8 t80 -115.58 173.7 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.556 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 2.1 t70 -177.65 142.84 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.8 p -132.88 12.01 4.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -50.45 72.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.635 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.35 136.54 13.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.96 -35.72 3.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.36 -46.48 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.087 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.48 170.06 12.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 061 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.592 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 89.54 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -27.89 -56.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.966 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.6 t -89.21 128.36 35.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 108.249 -179.965 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -151.44 163.6 38.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 19.7 mtpt -65.63 164.97 21.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.06 123.37 7.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.786 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.9 tt -34.07 125.97 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.647 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.453 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.08 45.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.976 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.57 45.86 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.896 HG12 ' HB3' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -100.04 149.87 36.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.716 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.027 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.16 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 179.976 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.44 6.38 47.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.896 ' HB3' HG12 ' A' ' 13' ' ' VAL . 12.3 t0 -123.92 11.25 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.6 mmt85 -76.56 114.42 15.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -80.48 -10.67 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 59.1 117.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.31 -21.34 29.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.19 91.19 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CE1' ' HG2' ' A' ' 34' ' ' ARG . 9.2 m-85 -138.76 148.99 60.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -73.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.576 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -91.31 87.45 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.617 -179.999 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.2 m -99.15 137.33 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.574 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.5 p -150.69 172.01 5.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 39.02 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.73 -48.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.576 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 3.2 tt0 -69.12 -41.06 77.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -68.44 -40.5 81.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.98 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -81.09 -4.42 55.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 20.0 t30 -100.56 -37.86 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.589 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 4.1 tpt85 -58.56 -26.73 63.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.8 72.11 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.19 -158.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.963 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -119.88 152.13 37.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.9 t80 -116.19 173.37 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.3 t70 179.5 139.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.8 p -132.2 17.45 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.097 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -59.78 -43.85 94.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.792 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -150.3 133.82 8.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -75.02 -30.62 6.93 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.33 -30.95 4.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.027 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -103.96 171.78 4.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.956 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.548 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 89.98 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.7 m0 -31.26 -56.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 107.99 -179.993 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -92.58 113.15 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.987 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.3 p90 -133.39 166.12 23.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -62.11 164.06 11.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.529 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.95 123.54 7.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.529 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -30.62 127.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 179.968 . . . . . . . . 0 0 . 1 . 063 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 5.5 pt20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -114.14 43.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 -179.963 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.19 47.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.899 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.03 148.83 46.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.899 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 0.81 8.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.049 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.82 -15.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.45 3.77 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.653 ' HB3' HG12 ' A' ' 13' ' ' VAL . 5.5 t0 -132.02 23.57 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -74.94 128.76 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.461 HG11 ' HD3' ' A' ' 50' ' ' LYS . 39.8 t -84.24 -7.74 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 59.4 t0 52.27 104.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -10.99 60.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.985 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.82 81.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.685 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -145.89 146.83 30.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.75 . . . . 0.0 111.036 179.977 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.99 -87.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.07 86.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.612 -179.975 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.536 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.8 m -115.87 119.22 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.548 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -137.93 172.88 6.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.03 36.59 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -174.39 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -78.9 -36.5 41.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -76.55 -27.8 56.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.244 -179.946 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -94.96 2.61 55.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.239 -179.943 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.8 t-20 -99.9 -44.36 6.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.685 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.59 -35.15 65.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.08 71.45 0.17 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 -157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.975 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 22.4 m -122.98 147.48 46.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.1 t80 -115.12 173.82 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 2.4 t70 179.46 143.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.642 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.9 p -135.99 18.46 3.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -66.25 -45.27 81.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.493 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.83 132.54 11.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 -37.49 2.01 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.04 -41.71 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.049 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.31 170.08 9.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 91.75 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.642 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -31.49 -53.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 108.0 -179.969 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.9 t -94.49 111.2 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 108.331 179.941 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.6 p90 -131.48 166.3 21.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 18.8 mtpt -72.36 165.88 46.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.08 122.83 7.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.798 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.5 tt -34.14 138.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 063 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.798 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.4 mp0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.63 47.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.14 45.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.921 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.04 148.05 59.38 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 064 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.921 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 3.21 5.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.8 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.99 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.99 -18.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.11 11.08 31.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 064 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -135.01 16.41 3.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 064 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.669 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 8.7 mmt85 -76.35 109.17 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 t -75.22 -7.02 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.4 t70 58.29 115.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.22 -22.15 28.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 108.317 179.977 . . . . . . . . 3 3 . 1 . 064 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.22 98.27 0.04 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.96 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 17.9 m-85 -145.07 144.97 25.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.667 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -91.03 85.84 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.591 179.992 . . . . . . . . 3 3 . 1 . 064 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.5 m -98.86 137.94 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 1.7 p -146.84 169.69 9.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.657 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 41.56 0.76 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -179.34 -50.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 064 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 30' ' ' GLU . 10.1 tm-20 -65.28 -46.6 79.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -62.22 -34.61 76.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 108.291 -179.984 . . . . . . . . 3 3 . 1 . 064 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 7.4 t-20 -88.85 -5.85 57.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 57.9 t-20 -98.26 -39.93 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -57.07 -24.33 53.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.937 . . . . . . . . 3 3 . 1 . 064 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.19 71.51 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 169.9 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.991 . . . . . . . . 3 3 . 1 . 064 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -125.74 152.66 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.299 179.962 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 67.4 t80 -118.41 175.1 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.572 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 -179.32 143.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -133.75 14.37 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -50.39 74.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.559 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.2 134.54 12.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 064 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 -35.48 3.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.93 -41.45 1.94 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.99 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -93.25 170.89 7.98 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 064 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 91.76 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.568 1.825 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -31.57 -56.59 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 107.986 -179.989 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.408 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.5 t -90.08 116.32 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 -179.956 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -138.87 166.35 24.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.8 mttt -68.1 163.51 50.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.97 123.9 8.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.784 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.1 tt -32.98 133.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 064 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.702 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.2 mp0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.994 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 3.2 pt20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.416 ' SG ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -114.79 46.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 108.29 179.99 . . . . . . . . 3 3 . 1 . 065 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.83 41.53 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.868 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -84.44 147.1 48.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 065 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.868 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.06 4.21 4.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.957 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.33 -16.71 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.54 9.35 40.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 065 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.68 17.65 3.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 065 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.686 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.2 mmt85 -75.75 114.41 14.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -80.36 -7.18 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.94 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' VAL . 5.2 t0 58.73 117.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.958 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.485 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.26 -19.32 31.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.977 . . . . . . . . 3 3 . 1 . 065 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.37 91.07 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 15.6 m-85 -137.42 145.76 50.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -79.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 0.0 110.962 179.999 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.501 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -84.27 81.89 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.597 -179.961 . . . . . . . . 3 3 . 1 . 065 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -91.7 138.41 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.625 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.9 p -152.74 173.13 4.82 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.953 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 37.66 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.8 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.84 -53.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 065 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.501 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 2.1 tt0 -63.24 -35.47 80.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -76.39 -30.85 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.331 179.991 . . . . . . . . 3 3 . 1 . 065 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.53 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.2 m-80 -93.43 3.04 56.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' LYS . 18.8 t-20 -104.76 -38.99 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.78 -29.96 67.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.2 73.35 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.437 1.086 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.45 -159.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.998 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.83 155.86 33.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 78.0 t80 -119.09 174.27 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.576 ' O ' ' CG ' ' A' ' 47' ' ' TRP . 19.8 t70 178.48 144.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.649 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.8 p -139.49 17.21 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 179.98 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -63.6 -34.19 77.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.528 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -155.49 132.46 6.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 065 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.98 -37.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.41 -33.8 0.35 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.957 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -100.94 168.47 9.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 065 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.591 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 88.76 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.649 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 10.5 m0 -27.96 -57.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.99 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.442 ' HB2' HG11 ' A' ' 26' ' ' VAL . 1.9 t -89.33 117.47 28.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 -179.99 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.686 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -139.42 165.94 25.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -67.89 162.93 54.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 065 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 122.28 7.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.753 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.8 tt -33.13 136.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.559 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 1.1 tt0 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -108.94 46.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.303 -179.988 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.36 41.93 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.016 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -91.76 153.58 43.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.016 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.03 -58.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.075 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 159.65 -22.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.44 -1.89 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.525 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -114.86 11.62 16.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.754 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.3 mmt85 -77.2 110.46 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 20' ' ' ASP . 23.5 t -73.15 -8.86 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.529 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 65.3 t0 59.4 117.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -18.23 46.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 -179.995 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.52 72.63 0.61 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -138.5 145.72 47.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.438 0.728 . . . . 0.0 111.012 179.943 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -79.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.649 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -69.03 99.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 -179.967 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 48' ' ' CYS . 16.3 m -125.19 125.36 69.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.747 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 12.6 p -130.75 168.13 18.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 179.988 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.675 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 36.22 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -175.59 -46.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.529 ' H ' ' HG1' ' A' ' 27' ' ' THR . 0.3 OUTLIER -73.04 -27.34 61.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.289 -179.949 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.747 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.8 OUTLIER -79.46 -32.53 42.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.293 179.987 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -90.95 1.07 57.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -104.26 -38.81 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.571 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 3.3 tpt85 -58.63 -26.7 64.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 123.72 72.54 0.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.18 -157.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.993 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -123.86 155.71 37.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 108.246 -179.94 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.675 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.7 t80 -120.0 175.99 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.578 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 176.89 141.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.633 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.0 p -134.28 15.39 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.011 179.929 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -38.99 89.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.594 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -153.38 133.49 7.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 -33.97 4.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.58 -37.68 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.075 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -96.09 171.14 6.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.2 Cg_endo -74.98 92.02 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.633 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.1 m0 -33.43 -54.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.56 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.9 t -94.27 108.46 20.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.754 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.6 p90 -129.13 166.32 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.0 mttt -63.42 161.26 35.37 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.472 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.02 124.13 8.38 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.733 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -36.28 137.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 066 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 mp0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -115.6 48.44 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.61 45.07 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.907 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.49 147.92 45.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.907 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 1.08 8.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.985 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.84 -24.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.38 14.59 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -138.46 17.14 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.688 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.25 122.68 24.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 20' ' ' ASP . 62.2 t -82.53 -9.75 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.0 t70 56.65 109.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -10.44 59.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.97 87.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.097 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.707 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -151.97 147.02 19.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.02 -85.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.437 1.756 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -58.97 84.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 109.637 -179.994 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.561 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.1 m -112.65 117.54 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.931 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -138.7 173.78 4.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.415 179.966 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.642 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 36.46 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -174.31 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.997 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.31 -35.71 40.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.512 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 0.7 OUTLIER -78.07 -26.15 48.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 108.307 179.986 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -96.09 2.84 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.7 t30 -98.87 -44.23 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.707 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.87 -34.77 63.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.41 69.66 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.37 -155.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.5 m -123.49 149.51 45.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.3 t80 -118.5 173.98 6.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.0 t70 -176.37 147.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.6 p -137.55 12.5 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -51.06 71.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.601 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.23 135.93 14.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -36.78 2.38 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.78 -47.13 1.75 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.985 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.91 170.04 13.26 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.582 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 89.75 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.9 m0 -28.67 -57.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 108.023 -179.987 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.07 121.01 31.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 -179.981 . . . . . . . . 1 1 . 1 . 067 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.688 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.9 p90 -143.13 165.89 26.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.9 mtpt -69.9 165.13 45.38 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.03 127.89 11.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.557 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -35.19 136.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.475 ' CG ' ' HB3' ' A' ' 51' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.37 47.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.979 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.52 51.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.954 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.55 150.4 41.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.954 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 3.03 5.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.746 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.73 -26.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 6.78 35.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -131.01 20.39 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.803 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -76.18 129.92 37.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.998 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.3 t -86.72 -5.23 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 19' ' ' VAL . 60.6 t0 50.98 103.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -12.57 61.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 108.341 179.972 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.2 77.3 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -143.88 145.98 32.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.453 0.737 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.4 ' O ' HG22 ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.96 -82.76 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.687 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -62.45 96.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 179.986 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.7 m -126.51 124.15 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.555 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -138.23 173.67 5.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.98 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 38.85 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.43 -45.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.6 OUTLIER -71.44 -38.62 71.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -72.88 -29.33 63.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 -179.993 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -94.05 2.7 55.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.0 t30 -101.62 -39.73 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.56 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -60.92 -23.95 65.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.75 73.69 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.59 -154.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.467 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -126.98 147.99 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 179.988 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.5 t80 -114.62 174.39 5.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.0 t70 177.26 145.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.648 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.7 p -140.13 19.56 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.958 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -33.23 72.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.675 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.94 128.13 4.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -37.87 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.05 -27.87 0.44 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.746 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.35 170.54 5.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 068 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 90.2 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.648 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -32.4 -54.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.016 -179.994 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.456 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.2 t -93.78 111.96 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.803 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -131.99 166.31 21.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -68.53 163.49 53.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.96 124.16 8.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.756 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.2 tt -34.38 133.25 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 068 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 mp0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.452 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.13 47.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 108.256 -179.977 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.94 43.6 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.864 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.55 146.54 44.47 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.864 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 2.08 7.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.974 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.84 -18.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.22 10.28 34.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.983 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -135.44 18.77 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.3 mmt85 -75.9 115.56 15.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.01 -11.48 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.509 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t70 57.73 108.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.21 -8.78 57.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.24 80.08 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -147.57 143.23 17.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.97 -79.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.437 1.756 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.713 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -63.02 93.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.575 180.0 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.521 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.7 m -126.02 127.97 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.566 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -140.47 175.92 2.83 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -179.997 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 35.41 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.55 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 0.0 OUTLIER -67.7 -32.39 73.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -82.04 -26.88 33.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 -179.997 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -94.42 0.68 55.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 27.0 t-20 -101.58 -39.17 7.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.605 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.47 -23.58 64.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.971 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.61 75.36 0.6 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.72 -154.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -126.82 150.25 49.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 108.303 -179.957 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.4 t80 -117.75 174.95 5.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.5 t70 -178.87 143.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.617 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.4 p -135.69 17.06 3.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.979 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -66.03 -48.98 69.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.544 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.08 132.84 13.82 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.95 -36.44 2.59 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.6 -43.18 2.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.105 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 069 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.974 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -89.69 170.14 11.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 89.67 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.617 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -29.5 -57.82 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.994 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.484 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.6 t -89.86 119.46 30.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -141.58 166.84 23.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.528 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.0 mtpt -70.8 165.47 46.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 127.11 10.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 069 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.718 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -35.08 135.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 069 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.489 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 48.14 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.9 45.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.882 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.09 147.65 41.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 070 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.882 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 3.65 5.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.925 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.43 -15.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.95 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -97.05 7.22 47.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 070 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.43 18.89 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 070 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.681 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.7 mmt85 -73.96 120.15 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.2 t -80.22 -11.61 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.485 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.8 t70 57.9 108.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -15.33 61.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 -179.98 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.6 79.87 0.1 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.682 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -145.8 146.92 30.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 070 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.96 -86.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.89 85.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.62 -179.994 . . . . . . . . 3 3 . 1 . 070 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.541 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.8 m -114.15 118.94 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.504 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.0 p -135.83 172.72 6.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.657 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 36.22 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 27' ' ' THR . 3.2 tmtt? -174.4 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -76.93 -37.4 55.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -75.5 -27.61 58.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.262 -179.948 . . . . . . . . 3 3 . 1 . 070 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.18 2.92 53.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 070 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 6.8 t30 -100.59 -42.98 6.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.682 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -57.04 -33.8 67.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 070 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.41 72.32 0.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 178.37 -157.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.967 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 m -123.2 148.91 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.325 179.951 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.2 t80 -116.83 174.24 6.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.568 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.0 t70 -178.92 143.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.614 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.0 p -133.2 13.92 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 179.962 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -54.26 48.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.803 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.15 138.64 16.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 070 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.96 -36.97 2.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.788 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.5 -38.8 1.05 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.925 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.85 168.15 11.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 070 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.595 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 87.83 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -27.47 -57.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -90.0 119.76 30.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 108.329 179.992 . . . . . . . . 1 1 . 1 . 070 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.681 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.2 p90 -141.89 164.47 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -66.98 164.39 35.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 126.33 9.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.769 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.1 tt -35.27 132.55 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 070 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.46 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.354 179.939 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.96 45.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.981 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.46 47.76 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.877 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.43 147.85 40.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.877 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.95 2.02 7.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.07 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.5 -18.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.513 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.46 11.85 29.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.498 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.85 16.67 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.68 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 7.7 mmt85 -76.16 96.77 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 20' ' ' ASP . 66.8 t -62.59 -14.36 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.5 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.8 t0 56.19 111.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.971 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.11 -13.53 49.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.242 -179.982 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.17 102.38 0.04 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 17.6 m-85 -141.58 144.59 33.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -79.86 81.02 6.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.566 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.2 m -89.52 137.21 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.7 p -150.17 172.42 5.3 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.624 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 39.57 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -178.8 -54.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.953 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.571 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -60.78 -44.81 96.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -63.52 -34.98 78.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 108.252 -179.965 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 4.9 t-20 -90.63 0.13 57.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' LYS . 40.5 t-20 -97.96 -37.31 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.606 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -64.83 -21.87 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.33 73.79 0.49 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 -179.967 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.24 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -126.72 150.36 49.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.263 -179.999 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.624 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 64.9 t80 -116.27 174.44 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.4 t70 -177.52 144.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.1 p -134.29 12.07 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -49.66 76.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.584 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.68 134.73 12.49 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 -34.75 3.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.34 -46.95 2.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 071 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.07 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.83 170.88 10.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.741 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 071 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.576 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.01 90.59 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.3 m0 -29.15 -56.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 107.948 -179.972 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.493 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.4 t -89.47 128.02 35.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 108.313 -179.98 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.68 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.1 p90 -151.73 165.27 34.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.522 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.1 mttt -67.87 164.13 43.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.95 124.66 8.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.438 1.757 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.728 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -34.49 129.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 071 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.565 ' O ' ' CG ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.459 ' OE1' ' N ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -105.96 40.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 108.276 -179.978 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.53 41.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.872 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -80.8 147.23 61.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.872 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.91 1.16 8.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.067 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.79 -18.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.533 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.86 9.38 37.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.513 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -132.95 16.73 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.0 mmt85 -76.05 112.38 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 61.9 t -76.26 -7.14 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.9 t0 57.63 112.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -82.05 -20.23 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.971 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.04 97.86 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 21.4 m-85 -146.68 140.74 15.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.771 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.05 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -89.2 82.75 6.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.7 m -97.14 139.65 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.596 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 7.3 p -149.58 170.96 6.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.42 179.953 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 35.84 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.23 -49.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.46 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.5 OUTLIER -64.85 -33.02 75.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.596 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -79.44 -26.64 41.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.317 179.965 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.471 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -96.51 1.45 51.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LYS . 32.8 t-20 -104.7 -37.16 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.69 -31.05 70.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 129.62 73.6 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 167.09 -158.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.963 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -123.12 155.71 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 108.265 -179.978 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.9 t80 -119.91 174.74 6.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 14.6 t70 -179.34 143.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.638 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.7 p -133.48 13.6 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -57.21 -50.99 71.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.31 135.41 12.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.97 -35.71 3.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.5 -36.89 0.73 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 072 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.067 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -98.62 169.96 7.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.541 0.789 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 072 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.572 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 89.88 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.638 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.8 m0 -29.46 -57.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.409 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.3 t -88.65 117.5 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.9 p90 -140.97 166.37 24.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.517 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.9 mttt -72.03 163.92 63.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 123.27 7.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.793 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.8 tt -32.23 135.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 072 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.793 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 11.0 pt20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.429 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 1.6 m -115.46 46.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 108.258 -179.976 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.13 57.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.031 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.21 152.41 39.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.948 . . . . . . . . 3 3 . 1 . 073 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.031 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 2.53 6.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.778 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.32 -25.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.05 4.23 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -128.09 20.96 6.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.96 . . . . . . . . 3 3 . 1 . 073 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.785 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.07 135.92 39.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 179.985 . . . . . . . . 3 3 . 1 . 073 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 20' ' ' ASP . 11.5 t -94.13 2.13 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.3 t0 43.69 95.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -23.66 63.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 108.264 -179.984 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.0 96.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.568 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 12.0 m-85 -138.78 150.11 64.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -79.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -87.8 86.35 7.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 179.972 . . . . . . . . 3 3 . 1 . 073 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -95.22 139.99 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.541 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -152.84 170.86 7.47 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 40.28 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -178.7 -47.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 073 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.0 OUTLIER -68.72 -44.03 74.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.355 179.961 . . . . . . . . 3 3 . 1 . 073 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -64.73 -39.53 93.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.965 . . . . . . . . 3 3 . 1 . 073 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -81.8 -4.18 55.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 073 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 19.8 t-20 -100.14 -37.09 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 5.7 tpt85 -59.62 -27.22 66.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.94 71.7 0.25 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.28 -157.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.963 . . . . . . . . 3 3 . 1 . 073 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.3 m -121.35 151.61 39.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.273 179.988 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.8 t80 -114.88 173.59 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.6 t70 177.24 140.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 80.6 p -131.17 17.37 5.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -58.63 -49.18 78.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.809 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.99 134.47 11.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 073 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.97 -37.44 2.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.94 -28.21 0.68 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.809 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -104.89 170.63 5.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 073 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 91.49 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.1 m0 -33.87 -52.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 107.988 -179.98 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.45 109.58 21.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 073 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.785 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -129.44 164.65 23.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.2 mttt -68.3 164.9 38.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 120.58 6.13 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.8 HD23 ' O ' ' A' ' 52' ' ' LEU . 2.9 tt -30.19 99.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.498 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.6 mt-30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.2 42.6 1.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.309 -179.957 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.24 43.59 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.889 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.37 147.74 47.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.889 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 0.93 8.3 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.004 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.31 -21.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.28 12.84 23.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -137.92 18.2 2.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.7 mmt85 -74.62 118.91 18.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.442 HG11 ' CD ' ' A' ' 50' ' ' LYS . 70.8 t -74.92 -9.61 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.947 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.542 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 53.4 t0 54.95 104.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -17.36 63.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 -179.997 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.75 73.82 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -140.51 144.23 35.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.961 -179.953 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -75.01 -78.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.669 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -66.62 97.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.598 179.954 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.565 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.6 m -125.95 128.91 72.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.588 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 5.7 p -134.57 169.94 12.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.678 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.98 39.23 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.88 -51.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 3.8 tp10 -64.63 -42.76 95.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.571 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.59 -33.02 74.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 108.281 179.996 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -90.61 2.91 55.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -103.18 -35.54 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.54 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.0 -26.62 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.47 71.89 0.24 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.5 -156.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.1 m -125.98 152.71 45.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.265 -179.996 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 56.1 t80 -117.61 175.71 5.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.607 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 6.7 t70 -178.31 144.87 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.8 p -135.34 12.18 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -48.94 79.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.553 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.84 134.33 12.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.98 -36.05 2.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.07 -43.9 1.93 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.15 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 074 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.004 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -89.44 169.98 11.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 074 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 90.07 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -29.59 -55.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 107.991 -179.968 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.565 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.2 t -91.25 118.92 30.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.295 179.998 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.3 p90 -141.49 165.91 26.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.6 mtpt -71.58 165.86 45.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 126.06 9.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.787 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -35.4 126.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.656 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.09 45.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.339 179.975 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.21 40.71 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.854 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.36 146.32 53.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 075 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.854 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -0.07 9.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.025 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.31 -15.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.533 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.86 7.29 46.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.968 . . . . . . . . 3 3 . 1 . 075 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.617 ' HB3' HG12 ' A' ' 13' ' ' VAL . 5.6 t0 -135.47 21.81 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.674 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 12.5 mmt85 -74.76 115.69 14.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.3 t -71.26 -11.31 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.508 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 65.9 t0 55.67 109.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.48 -10.13 59.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.4 73.16 0.43 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -139.05 145.35 44.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.45 0.735 . . . . 0.0 111.016 179.929 . . . . . . . . 3 3 . 1 . 075 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -81.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.761 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.67 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -63.87 97.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.622 -180.0 . . . . . . . . 3 3 . 1 . 075 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 48' ' ' CYS . 17.4 m -126.79 132.0 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.607 ' C ' ' CD2' ' A' ' 38' ' ' PHE . 5.3 p -140.89 170.54 9.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.997 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.662 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 38.95 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.77 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 179.953 . . . . . . . . 3 3 . 1 . 075 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.11 -41.58 94.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 075 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.575 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.02 -32.35 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 108.333 179.965 . . . . . . . . 3 3 . 1 . 075 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.401 ' OD1' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -89.94 2.92 54.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.994 . . . . . . . . 3 3 . 1 . 075 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -101.56 -35.56 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.589 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.32 -28.77 69.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 075 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.26 71.72 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.57 -156.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.7 m -124.89 153.59 42.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.662 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 51.3 t80 -121.32 175.28 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 8.9 t70 -177.64 145.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.6 p -135.43 13.3 3.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -47.13 85.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.538 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.88 134.08 11.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 075 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 -36.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.71 -45.1 1.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 075 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.025 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.59 169.61 13.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 075 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.05 89.99 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -29.7 -56.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 108.005 -179.963 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.56 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.7 t -90.33 117.92 29.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.288 179.968 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.4 p90 -140.3 165.99 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.552 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.9 mttt -69.51 164.72 47.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.93 124.74 8.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.78 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.1 tt -33.18 137.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 075 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.762 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' LEU . 6.6 pt20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.431 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 3.0 m -107.65 44.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.16 42.83 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.788 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.69 145.29 34.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.788 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 0.79 8.45 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.994 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.81 -25.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.51 11.71 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.53 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.37 17.55 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.1 mmt85 -75.23 112.69 11.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 7.0 t -70.26 -11.05 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 49.9 t0 58.13 115.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -10.25 59.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 108.348 179.949 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.37 77.56 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -144.9 144.98 25.89 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.4 Cg_endo -74.98 -80.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.699 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -63.87 95.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 -179.973 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 23.0 m -126.05 126.04 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.569 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.8 173.36 5.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.992 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.648 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 39.21 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.59 -46.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.2 OUTLIER -71.18 -38.36 72.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -73.56 -31.97 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 108.307 -179.981 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -91.67 0.26 57.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 11.9 t30 -100.84 -40.31 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -59.35 -23.48 62.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.72 75.1 0.59 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.27 -154.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -125.05 150.06 47.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.648 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.5 t80 -118.59 174.15 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 8.3 t70 -178.63 146.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.6 p -139.02 14.39 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -63.94 -46.19 85.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.541 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.83 133.97 11.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.05 -36.83 2.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.52 -46.17 2.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 076 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.994 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.61 169.42 15.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 076 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.597 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 88.43 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.9 m0 -27.49 -57.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.999 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.493 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.7 t -90.66 119.3 30.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.29 -179.931 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -141.22 167.56 21.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -70.46 163.7 60.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 124.49 8.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 111.054 179.95 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.796 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.8 tt -34.91 131.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 076 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.652 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CG ' ' HB3' ' A' ' 51' ' ' PRO . 1.4 pt20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.09 41.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.349 179.951 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.81 40.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.907 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -81.5 148.28 62.01 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.907 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 3.16 5.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.898 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.44 -21.51 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -93.68 9.62 36.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.72 18.44 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.706 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.9 mmt85 -73.0 119.14 16.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.03 -14.45 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.509 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 59.02 111.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.27 -14.01 61.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 108.328 179.973 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.45 73.04 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -140.88 144.48 35.7 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.98 -76.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.414 1.744 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.671 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -68.88 97.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.626 179.989 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.543 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.5 m -125.91 130.55 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.599 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.8 p -138.12 171.4 8.4 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 40.46 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.74 -54.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 1.4 tp10 -61.24 -43.78 98.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -64.26 -33.11 75.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 108.274 -179.965 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -92.52 4.86 52.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -104.22 -35.01 8.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -64.49 -29.8 70.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.21 69.6 0.14 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 174.24 -158.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -179.951 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -124.04 154.12 40.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.312 179.985 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.666 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 60.4 t80 -119.05 174.72 6.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.572 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 6.2 t70 -179.22 141.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.0 p -130.34 13.4 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -55.84 27.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.811 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -140.94 139.14 18.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -74.99 -38.15 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.812 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.61 -39.03 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 077 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.898 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -93.82 167.82 13.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 077 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 89.65 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.4 m0 -29.82 -55.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 107.973 -179.973 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.543 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.9 t -91.46 119.09 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 -179.985 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.706 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.2 p90 -142.21 167.98 20.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.554 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -75.58 164.82 58.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.554 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 126.25 9.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.563 1.823 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.4 tt -32.98 137.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 077 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.797 ' N ' HD23 ' A' ' 52' ' ' LEU . 3.5 mp0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -110.69 47.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.295 -179.983 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.49 48.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.921 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.94 149.42 47.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 078 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.921 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.972 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.26 -23.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.81 9.38 32.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 078 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.529 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -133.14 17.67 4.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 078 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.693 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.19 117.26 16.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 24.5 t -75.76 -10.53 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.522 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 55.2 t0 58.13 112.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.158 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -18.35 60.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.59 72.45 0.66 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -139.53 144.07 38.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.983 -179.988 . . . . . . . . 3 3 . 1 . 078 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -77.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.669 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -68.87 97.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.596 -179.986 . . . . . . . . 3 3 . 1 . 078 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.9 m -124.14 129.69 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.664 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 9.1 p -135.24 171.93 8.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.936 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.678 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 35.06 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.1 tmmt? -177.84 -48.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.491 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.9 OUTLIER -66.44 -26.89 67.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 078 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.664 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -83.57 -34.12 25.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -179.981 . . . . . . . . 3 3 . 1 . 078 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.621 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 17.3 p30 -90.85 4.31 52.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.7 t-20 -106.02 -37.15 6.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.555 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.99 -27.78 68.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.948 . . . . . . . . 3 3 . 1 . 078 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.93 70.69 0.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.33 -156.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.99 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.446 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -125.85 154.44 42.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.354 179.99 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.4 t80 -119.58 176.38 5.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.585 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 12.2 t70 179.11 142.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.617 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.1 p -131.98 13.03 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -53.25 60.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.631 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.36 136.83 16.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 078 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 -36.47 2.51 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.72 -45.76 2.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 078 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.972 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.15 169.64 13.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.362 179.942 . . . . . . . . 3 3 . 1 . 078 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 92.0 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.617 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -31.45 -56.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.582 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.3 t -91.35 115.05 27.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.693 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.5 p90 -136.68 166.09 24.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.3 mttt -67.82 163.85 45.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.96 124.73 8.87 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.576 1.83 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.778 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 tt -35.01 130.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 078 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.506 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.429 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.2 45.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.273 -180.0 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.85 44.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.913 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -84.19 148.0 52.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 079 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.913 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.01 1.16 8.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.551 1.816 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.968 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.12 -16.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.07 7.26 46.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 079 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.498 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.88 19.13 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 079 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.704 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.2 mmt85 -74.59 101.62 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.29 179.963 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 5.8 t -61.55 -18.93 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.549 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 57.24 112.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -83.85 -9.76 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 108.344 179.924 . . . . . . . . 3 3 . 1 . 079 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.91 97.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.638 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -156.78 145.39 14.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 111.018 179.949 . . . . . . . . 3 3 . 1 . 079 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.01 -86.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.418 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.14 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 179.973 . . . . . . . . 3 3 . 1 . 079 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 32.5 m -116.36 116.92 53.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 p -129.11 169.95 11.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.463 179.948 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.691 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 38.3 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.0 -37.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 079 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.475 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.7 tt0 -79.61 -35.18 39.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -75.13 -28.62 60.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.322 179.969 . . . . . . . . 3 3 . 1 . 079 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -96.1 1.95 52.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.363 179.984 . . . . . . . . 3 3 . 1 . 079 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 3.0 t-20 -101.05 -42.16 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.638 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -58.71 -27.13 64.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.995 . . . . . . . . 3 3 . 1 . 079 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 74.77 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.94 -154.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.7 m -129.81 147.76 51.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.346 179.993 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.691 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.1 t80 -115.66 175.17 5.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 3.0 t70 -178.03 143.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.609 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -133.87 10.68 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -59.45 -49.57 77.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.565 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.82 134.29 13.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.999 . . . . . . . . 3 3 . 1 . 079 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -36.88 2.31 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.74 -47.44 2.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -84.88 169.78 15.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 079 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 89.62 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -28.8 -56.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.033 179.99 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.0 t -89.96 126.44 35.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 108.274 -179.99 . . . . . . . . 1 1 . 1 . 079 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.4 p90 -149.28 168.15 24.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.527 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 26.2 mtpt -71.85 165.65 47.72 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 129.17 12.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.459 1.768 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 079 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.72 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -35.68 137.64 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 079 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.409 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.482 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.0 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.36 46.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.317 179.999 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.32 41.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.008 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -90.06 153.62 47.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 080 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.008 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -59.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.985 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.74 -23.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 1.62 57.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -119.78 13.22 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 080 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.748 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.7 mmt85 -77.12 103.96 7.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.463 HG11 ' HE3' ' A' ' 50' ' ' LYS . 2.9 t -63.35 -16.65 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.546 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 54.9 t0 57.98 114.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 1.307 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -79.52 -26.03 41.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 080 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.27 75.66 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -142.21 144.34 31.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 080 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -78.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.802 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.687 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -65.97 96.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.576 -179.987 . . . . . . . . 3 3 . 1 . 080 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.528 HG11 ' HB2' ' A' ' 48' ' ' CYS . 17.2 m -126.0 125.48 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.657 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 4.3 p -128.0 169.93 11.5 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.442 -179.984 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 39.26 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -178.5 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.927 . . . . . . . . 3 3 . 1 . 080 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 2.6 tt0 -63.4 -39.06 93.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.657 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.04 -39.1 92.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 108.327 179.979 . . . . . . . . 3 3 . 1 . 080 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -85.67 0.37 52.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 080 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -100.88 -36.33 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.603 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -62.85 -20.5 65.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 080 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 118.36 70.02 0.36 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 1.307 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER 173.38 -153.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.956 . . . . . . . . 3 3 . 1 . 080 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -130.0 153.72 48.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.266 -179.941 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.697 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 57.7 t80 -117.34 174.77 5.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.601 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 2.6 t70 -179.79 142.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.1 p -136.26 16.82 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -68.4 -32.83 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.651 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.57 126.09 3.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.953 . . . . . . . . 3 3 . 1 . 080 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 -32.41 5.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.44 -25.26 1.96 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 080 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.985 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -106.65 172.64 3.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 080 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.546 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.3 Cg_endo -75.05 89.19 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -32.41 -54.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.528 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.0 t -93.26 115.26 27.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 108.32 179.943 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.748 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.0 p90 -137.68 165.19 26.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 6.1 mttt -63.48 162.7 24.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.02 125.33 9.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 080 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.74 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -37.22 129.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 080 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -112.93 47.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.16 53.61 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.353 179.993 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.895 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -97.2 148.74 34.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 081 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.895 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.93 1.55 7.57 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.074 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.28 -20.58 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.46 4.09 53.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 081 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -129.07 21.71 5.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 081 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.853 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.8 mmt180 -76.1 131.89 39.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.955 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.4 t -89.86 3.4 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.488 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 43.2 t0 44.4 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -20.67 65.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 179.988 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.22 76.5 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -142.32 143.33 26.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 081 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -79.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.671 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -66.18 96.89 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 179.976 . . . . . . . . 3 3 . 1 . 081 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.514 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.0 m -125.48 122.76 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.625 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 6.2 p -126.39 170.35 9.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 -179.972 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 37.99 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.35 -51.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 081 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' H ' ' HG1' ' A' ' 27' ' ' THR . 4.0 tp10 -63.63 -39.65 94.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.334 -179.978 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.28 -39.27 93.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 108.319 179.963 . . . . . . . . 3 3 . 1 . 081 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 8.5 t-20 -86.41 -1.68 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -97.69 -34.84 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.57 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -65.88 -21.04 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 081 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.36 70.52 0.34 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 173.5 -154.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.974 . . . . . . . . 3 3 . 1 . 081 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.1 m -129.92 151.23 50.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.277 179.991 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.697 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 64.6 t80 -114.41 175.74 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 25.9 t70 175.71 139.15 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 86.9 p -129.06 17.74 6.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -61.8 -48.71 79.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.589 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.79 136.9 13.87 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 081 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 -37.99 1.81 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.96 -49.61 2.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 081 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.074 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -85.22 169.94 14.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.749 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 081 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.493 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 96.11 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -35.01 -49.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.447 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.3 t -97.74 104.8 16.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.853 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -123.83 165.73 16.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -68.78 164.06 49.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.498 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.97 121.56 6.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 081 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -33.67 116.11 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 081 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.983 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.478 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 2.0 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -108.61 45.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.32 179.943 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.92 47.4 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.926 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.97 150.03 42.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 082 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.926 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 2.86 6.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.552 1.817 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 87.13 -27.44 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 6.11 36.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.506 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.02 23.34 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 082 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.784 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -75.51 114.52 14.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 082 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.564 HG11 ' HD3' ' A' ' 50' ' ' LYS . 40.1 t -67.39 -18.46 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 52.69 106.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.967 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -13.44 59.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.38 98.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.596 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -156.39 144.74 14.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 082 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.0 -85.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.551 1.816 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.405 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.32 84.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 -179.983 . . . . . . . . 3 3 . 1 . 082 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.1 m -113.97 117.25 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.626 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 7.0 p -123.71 170.18 9.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.709 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.01 38.01 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.7 tmtm? -177.45 -50.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 6.5 tt0 -64.45 -39.96 94.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.608 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.03 -34.13 77.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.285 -179.979 . . . . . . . . 3 3 . 1 . 082 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 4.2 t-20 -93.3 1.17 57.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 37.8 t30 -99.05 -37.31 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.596 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -64.43 -22.71 67.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.939 . . . . . . . . 3 3 . 1 . 082 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.03 71.19 0.27 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 174.8 -155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.94 . . . . . . . . 3 3 . 1 . 082 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.4 m -130.45 150.56 51.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 -179.987 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.709 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 50.0 t80 -115.72 175.46 5.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.637 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 5.2 t70 -178.99 142.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 -179.965 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.588 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -134.03 16.63 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -65.06 -43.65 91.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.818 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -147.57 132.71 9.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 082 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.434 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -37.8 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.57 -29.54 0.76 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.818 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -100.76 168.9 8.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 082 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 87.77 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.588 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -30.15 -52.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -94.25 121.8 36.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 108.322 179.975 . . . . . . . . 1 1 . 1 . 082 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.784 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -144.24 164.87 29.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HD3' HG11 ' A' ' 19' ' ' VAL . 22.0 mtpt -70.27 164.4 53.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 125.86 9.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.799 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -35.37 139.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.754 ' N ' HD23 ' A' ' 52' ' ' LEU . 4.1 mp0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.476 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 1.9 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.19 46.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 108.325 179.996 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.57 52.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.897 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.72 148.94 37.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 083 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.897 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.1 0.05 9.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 1.041 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.81 -26.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.933 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.77 7.4 30.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.743 ' HB3' HG12 ' A' ' 13' ' ' VAL . 8.7 t0 -133.11 22.19 4.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.145 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.829 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.7 mmt180 -76.48 136.63 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.431 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 2.0 t -91.78 3.57 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.495 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 36.2 t0 43.44 93.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -14.26 52.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.56 72.23 0.57 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -136.28 143.64 44.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -90.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.538 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -56.17 93.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.624 -179.998 . . . . . . . . 3 3 . 1 . 083 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.55 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.4 m -125.27 122.46 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.586 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.5 p -133.07 168.55 17.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.634 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.93 40.23 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.8 tmtm? 179.96 -35.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 20.8 tt0 -84.57 -26.67 27.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -83.18 -24.9 32.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 083 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -95.1 0.85 54.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 083 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 37.5 t-20 -105.32 -38.66 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.595 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.23 -29.75 68.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 083 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.16 75.44 0.28 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 083 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.79 -159.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.3 m -123.16 149.87 44.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.3 179.998 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.5 t80 -114.49 174.7 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.7 t70 176.45 140.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.609 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.9 p -129.66 17.19 5.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.947 179.985 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -51.51 69.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.576 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.58 137.74 15.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 083 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.93 -38.34 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.431 1.753 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' PRO . . . -37.56 -47.37 1.64 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 -179.931 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.041 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -87.6 170.02 12.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 083 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 95.21 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 -179.996 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -34.58 -50.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.965 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 5.7 t -98.11 101.56 13.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 108.309 -179.991 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.829 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -119.41 165.11 14.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -67.24 163.87 41.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 083 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.476 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 119.25 5.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.787 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.9 tt -35.15 134.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 083 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.737 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.401 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 14.8 pt20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 2.1 m -112.49 44.63 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.94 44.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.724 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.57 143.54 29.29 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 084 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.724 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 5.15 4.15 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.96 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.41 -17.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.17 8.25 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 084 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -133.32 18.82 4.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 084 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.706 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.8 mmt85 -75.03 116.95 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 20' ' ' ASP . 18.8 t -77.95 -10.32 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.7 t70 58.95 114.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -8.91 59.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.31 179.989 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.34 79.83 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -146.8 146.0 24.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 -179.999 . . . . . . . . 3 3 . 1 . 084 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -80.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.693 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -64.73 96.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 -179.961 . . . . . . . . 3 3 . 1 . 084 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.5 m -125.86 125.16 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.564 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -140.04 173.49 4.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 -179.958 . . . . . . . . 3 3 . 1 . 084 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 39.37 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.36 -47.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.937 . . . . . . . . 3 3 . 1 . 084 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -70.84 -39.11 73.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 084 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -72.46 -27.4 62.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 108.259 -179.954 . . . . . . . . 3 3 . 1 . 084 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -95.9 4.22 52.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 084 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 22.9 t-20 -101.96 -39.75 7.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.601 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.06 -23.15 65.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 084 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.82 73.39 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.127 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.14 -153.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.985 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -126.87 150.0 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.8 t80 -118.06 174.21 6.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.7 t70 178.05 143.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.659 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.4 p -139.93 18.3 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -31.46 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.483 HD13 ' CG2' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -154.76 129.9 5.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.936 . . . . . . . . 3 3 . 1 . 084 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.439 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -36.57 2.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.39 -35.65 0.83 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 084 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.96 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.83 168.83 9.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 084 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.07 88.77 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.659 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.2 m0 -28.47 -58.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.484 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.5 t -89.76 118.93 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 108.289 179.997 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.706 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.5 p90 -140.86 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -71.01 163.78 62.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.03 125.59 9.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.94 . . . . . . . . 2 2 . 1 . 084 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -33.14 118.31 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 084 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.496 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.3 38.84 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.351 179.973 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.7 45.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.871 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.63 148.1 39.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 085 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.871 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 0.81 8.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 87.89 -25.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.92 6.62 38.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 085 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.708 ' HB3' HG12 ' A' ' 13' ' ' VAL . 10.3 t0 -133.23 22.75 4.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.832 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 3.2 mmt180 -75.89 131.64 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.513 HG11 ' HD3' ' A' ' 50' ' ' LYS . 76.0 t -85.62 -8.95 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.8 t70 53.47 105.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -14.24 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 108.312 179.977 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.92 73.02 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.943 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -138.94 145.48 45.69 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 111.017 179.996 . . . . . . . . 3 3 . 1 . 085 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -79.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.656 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -66.76 98.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.633 179.955 . . . . . . . . 3 3 . 1 . 085 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.5 m -126.11 126.49 69.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.612 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 5.5 p -131.28 170.04 12.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.939 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.696 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.89 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.4 -51.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 085 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 4.4 tt0 -64.05 -41.14 97.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.609 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -63.89 -37.23 86.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 108.304 -179.999 . . . . . . . . 3 3 . 1 . 085 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 3.6 t-20 -87.96 -0.52 57.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -96.74 -35.78 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.567 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -65.79 -24.48 66.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 085 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.3 71.36 0.29 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 175.0 -157.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.977 . . . . . . . . 3 3 . 1 . 085 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.441 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -125.77 152.13 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 108.274 179.987 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 54.5 t80 -118.09 175.29 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 11.0 t70 178.79 144.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.614 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.4 p -135.59 15.78 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -64.56 -40.47 95.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.766 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.21 130.55 7.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 085 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 -37.99 1.8 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.54 1.811 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.26 -28.45 0.54 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 085 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.766 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -102.3 169.94 6.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 085 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 89.95 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -33.05 -53.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.544 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.7 t -94.43 110.63 22.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.832 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.7 p90 -131.37 165.62 23.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HD3' HG11 ' A' ' 19' ' ' VAL . 22.1 mtpt -71.59 164.44 57.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.95 125.31 9.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.3 tt -35.25 137.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 085 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.801 ' N ' HD23 ' A' ' 52' ' ' LEU . 5.7 mp0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 52.45 -179.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -84.2 -173.97 5.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.418 HG13 HD23 ' A' ' 6' ' ' LEU . 6.6 p -175.78 120.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.1 101.23 2.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.418 HD23 HG13 ' A' ' 4' ' ' VAL . 1.2 pp -122.34 30.52 6.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER 172.04 -174.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . -40.62 -90.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 41.5 -93.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.9 mt-30 -50.89 -41.3 58.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.38 41.25 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.95 42.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.967 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -95.7 152.13 38.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.967 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.022 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.19 -24.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.67 7.11 44.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.534 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -124.25 11.13 8.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.721 ' NH1' HG21 ' A' ' 45' ' ' VAL . 13.0 mmt85 -77.01 116.91 18.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 43.8 t -81.63 -8.9 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 6.0 t0 58.75 115.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.93 -20.92 29.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 66.62 93.41 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.591 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.1 m-85 -140.21 148.97 56.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -75.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.459 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -88.98 84.88 6.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.591 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.8 m -95.99 136.37 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.546 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.0 p -151.61 171.46 6.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.579 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.92 39.54 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.53 -45.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.489 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.6 tt0 -72.62 -38.26 67.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.45 -27.79 60.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.267 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.453 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.5 m120 -93.45 -0.84 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 20.8 t30 -101.61 -41.58 6.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.417 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.18 -29.01 60.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 74.99 0.31 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.84 -159.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.23 152.87 37.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 108.323 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 82.0 t80 -117.74 173.39 6.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.9 t70 178.95 142.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.623 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.7 p -135.35 17.74 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -60.22 -42.85 96.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.816 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -150.64 133.87 8.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.07 -30.57 6.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.93 -28.98 4.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.022 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.53 171.32 4.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 88.86 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.623 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -30.36 -55.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.987 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -92.45 113.94 26.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 108.315 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.717 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -135.28 164.87 26.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -65.74 161.56 52.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.99 124.21 8.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.756 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -35.09 133.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.431 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -61.55 80.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.3 pt-20 -47.96 117.4 1.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.64 74.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 109.255 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.32 125.81 28.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.4 p -132.71 114.16 13.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 108.306 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.9 t -112.39 -37.01 5.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.4 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -115.09 109.2 17.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 13.6 p90 -120.61 132.73 55.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 m -117.67 114.77 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.69 16.67 1.61 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 7' ' ' SER . 0.8 OUTLIER -96.24 92.32 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' ASN . 9.0 p 59.89 149.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 67.31 -73.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' SER . 35.6 m-80 -49.17 -25.92 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.3 pt20 -89.85 -37.88 14.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.49 43.13 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.265 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -100.81 40.53 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.981 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.68 152.42 40.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.981 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 -58.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.019 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.76 -24.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.4 4.51 53.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.542 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -121.7 11.17 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.721 ' NH1' HG21 ' A' ' 45' ' ' VAL . 12.6 mmt85 -76.47 116.09 16.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -81.61 -10.49 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.5 t0 59.09 117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -23.81 30.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.25 91.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.6 m-85 -139.26 147.81 54.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -71.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -91.4 84.99 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.629 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.3 m -96.37 135.33 30.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.523 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.2 p -148.88 169.75 8.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.6 Cg_endo -74.99 38.75 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.053 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.07 -40.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.1 tp10 -76.69 -40.61 48.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -69.74 -35.22 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.287 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -85.85 -3.09 58.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.7 t30 -100.61 -40.04 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.502 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -56.99 -26.32 59.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.7 73.07 0.33 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.99 -158.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.82 151.71 39.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.9 t80 -116.32 173.92 6.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 30.5 t70 178.21 142.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.637 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.2 p -135.85 15.5 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -59.14 -39.4 82.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.703 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.33 131.81 6.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.96 -31.74 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.9 -29.07 3.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.019 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.57 171.73 4.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 90.26 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.637 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -31.72 -55.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -92.44 113.4 25.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.303 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.714 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -134.37 164.22 27.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.8 mtpt -63.8 162.21 30.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.04 124.25 8.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.733 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -37.12 132.0 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.29 72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.627 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -46.8 111.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 57' ' ' CYS . . . -138.62 121.75 16.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.93 -67.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 55' ' ' ALA . 7.1 t -147.66 -63.74 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 t -141.29 -46.3 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.351 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.24 49.83 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.589 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -170.59 112.54 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 p 179.29 102.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . 147.63 -98.54 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' C ' HD12 ' A' ' 6' ' ' LEU . 2.2 pp -39.58 148.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.65 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 2.3 p -89.87 135.43 33.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 166.96 -72.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -53.94 -38.05 64.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -78.38 -33.56 48.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 41.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -100.13 38.21 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.954 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.32 151.67 41.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.954 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -57.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.033 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.35 -23.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.12 5.55 51.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.3 m-20 -123.0 11.03 9.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.73 ' NH1' HG21 ' A' ' 45' ' ' VAL . 12.9 mmt85 -76.34 116.48 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 87.7 t -82.26 -9.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 2.2 t70 58.95 116.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.61 -23.42 29.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.13 91.88 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.597 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.3 m-85 -138.95 148.84 59.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -76.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.457 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -87.8 83.42 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.3 m -94.15 136.51 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.54 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -152.26 169.87 8.87 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.92 39.06 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.83 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.486 ' HB3' HG23 ' A' ' 27' ' ' THR . 3.7 tt0 -78.88 -37.26 40.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.96 -28.8 60.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.659 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.9 p30 -94.21 3.25 55.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.0 t-20 -104.56 -42.14 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -30.09 62.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.83 75.21 0.26 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.37 -159.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -120.37 152.37 37.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.288 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.2 t80 -118.14 173.21 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.9 t70 179.83 145.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.655 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.8 p -140.13 16.4 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -33.94 76.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.657 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.23 129.48 4.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.01 -33.07 4.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.73 -28.1 1.56 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.033 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -106.12 172.02 4.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.55 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.03 89.4 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.655 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.7 m0 -31.1 -55.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.59 112.16 24.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 108.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.708 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -133.24 163.98 28.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -64.37 161.92 38.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 123.32 7.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.755 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -37.34 138.05 0.34 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.49 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -60.08 80.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -55.2 97.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.34 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 56' ' ' GLU . . . -118.29 -169.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ALA . 3.3 mp0 -38.01 126.18 1.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 110.352 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.7 m -58.71 156.14 11.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.8 m -146.49 -56.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -177.27 -45.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.3 t80 52.65 97.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.503 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.2 p -166.06 51.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.17 106.4 1.01 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 pp -110.6 -28.91 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.7 p -110.33 -156.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.745 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -99.14 29.61 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.77 -56.13 20.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -63.69 -29.23 70.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -113.93 47.02 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.279 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -116.75 51.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.955 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.98 150.37 40.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.955 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 1.4 7.79 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.031 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.35 -27.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 9.94 21.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -133.91 20.01 3.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.826 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.6 mmt180 -75.87 136.36 40.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 13.3 t -95.88 -3.98 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.3 t70 50.94 102.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.5 -22.67 60.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.67 93.8 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -139.67 149.11 58.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.97 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -77.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.575 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -87.43 83.53 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.587 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.5 m -93.78 135.25 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.534 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -151.02 170.68 7.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.02 39.08 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.12 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.575 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.4 tt0 -76.26 -39.54 54.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.64 -30.78 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -92.29 1.09 57.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.0 t-20 -101.92 -41.07 6.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -30.34 66.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.31 75.57 0.25 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.0 -159.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.5 m -120.62 151.23 39.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 108.255 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.0 t80 -117.17 173.33 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.3 t70 -179.5 145.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.61 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.7 p -135.63 14.3 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -48.22 80.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.576 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.81 136.15 12.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.03 -37.39 2.03 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.63 -46.38 2.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.031 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.1 170.87 10.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 92.56 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.61 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.82 -52.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.988 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.85 112.55 24.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.826 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.7 p90 -132.55 162.87 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -65.95 163.84 33.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.491 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -75.02 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.2 tt -33.83 134.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.783 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -63.96 75.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -45.51 119.76 2.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.97 165.3 36.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -151.93 114.43 4.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.17 -63.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -169.03 128.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 61.9 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 3' ' ' TYR . 19.4 mt-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 61.18 -81.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 1' ' ' GLU . 63.3 t80 56.65 161.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.5 HG22 ' H ' ' A' ' 6' ' ' LEU . 11.5 p -174.8 129.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -81.82 14.67 30.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.5 ' H ' HG22 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -36.71 101.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.578 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 25.0 p 59.78 155.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.033 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 75.83 -81.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.61 -41.2 6.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -74.09 -34.87 64.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -110.61 45.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -101.83 40.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.96 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -94.01 152.34 40.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.96 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.05 -57.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.1 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 158.78 -22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.34 2.85 56.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.534 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -119.8 11.38 11.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.735 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.1 mmt85 -77.07 117.55 18.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' ASP . 49.0 t -83.56 -9.18 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.4 t0 59.88 117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.68 -20.88 28.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.11 92.89 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 m-85 -139.83 148.36 55.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -75.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.596 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -88.46 84.35 6.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.5 m -95.77 137.92 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.558 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -152.56 172.08 5.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.95 40.24 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.54 -49.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 5.1 tt0 -66.88 -43.86 82.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -65.0 -34.04 77.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 5.3 t-20 -90.35 -1.61 57.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 34.9 t-20 -95.52 -39.45 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -27.41 68.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.87 73.72 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.64 -158.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.505 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -121.19 152.18 39.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 108.339 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.8 t80 -117.85 173.44 6.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.6 t70 -179.11 144.05 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.4 p -136.26 14.63 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.041 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -58.69 -41.94 87.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.581 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.0 135.59 9.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.448 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -36.49 2.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.57 -39.74 1.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.1 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -95.24 171.16 6.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 91.28 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -31.66 -55.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 108.047 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.9 113.6 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.735 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -133.88 163.41 29.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -61.75 162.49 16.11 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.0 121.22 6.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.748 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -37.23 134.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -63.02 75.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -52.29 103.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -132.12 124.72 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 57' ' ' CYS . 0.9 OUTLIER 41.06 -165.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.52 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 69.4 m 63.86 140.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 108.25 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.3 p -140.37 -52.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.51 61.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -167.75 127.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.57 ' O ' HG13 ' A' ' 4' ' ' VAL . 11.9 p -174.75 94.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.82 1.81 19.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.16 47.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.693 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.5 p 177.76 117.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.699 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 83.72 -72.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -53.69 -33.63 56.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.422 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.3 tt0 -82.23 -33.05 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.18 46.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -116.27 54.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.022 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.63 151.7 42.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.022 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 1.68 7.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.997 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.09 -27.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.78 6.3 35.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -129.99 20.35 5.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.5 mmt180 -76.06 140.24 41.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 19' ' ' VAL . 54.5 t -99.9 -1.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 19' ' ' VAL . 7.6 t0 48.18 99.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.85 -22.35 61.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.0 93.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.9 m-85 -139.21 148.8 58.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -76.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.635 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -87.96 84.55 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 0.0 109.569 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.583 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.4 m -95.32 134.45 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.53 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -150.01 171.38 6.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 38.86 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.23 -42.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.635 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 4.2 tt0 -75.04 -37.97 61.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.4 -27.34 60.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.272 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.519 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.3 m-80 -94.8 0.12 54.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 15.5 t30 -101.03 -41.44 6.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -29.16 64.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.53 76.2 0.36 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.53 -158.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.4 m -121.41 151.53 40.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.5 t80 -117.5 173.49 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.2 t70 -180.0 144.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.604 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 85.4 p -133.76 14.63 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.071 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -51.35 69.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.584 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.54 135.71 14.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.364 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 -37.02 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.47 -44.01 2.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.997 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -90.35 171.75 8.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.06 93.38 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.604 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.3 m0 -33.66 -53.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.42 111.11 22.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 108.33 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -130.88 162.19 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.4 mtpt -66.4 166.62 16.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.573 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.03 122.48 7.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.748 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.2 tt -33.74 144.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.578 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -58.77 83.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 8.4 pt-20 -45.14 116.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.63 -67.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.26 121.05 1.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 25.8 p -79.32 164.09 24.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 108.32 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.4 m -49.79 161.04 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 110.433 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.36 -47.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.2 t80 59.21 -178.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.699 HG22 ' H ' ' A' ' 5' ' ' GLY . 1.4 p -135.88 -166.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.699 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 174.01 -32.93 0.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.666 HD22 ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -70.01 155.07 41.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 70.2 p -66.79 114.03 5.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.003 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 178.17 -92.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -46.9 -49.97 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -68.14 -29.54 68.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -110.62 44.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 108.307 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -115.29 54.58 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.002 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -94.2 151.29 39.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.002 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 2.94 6.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.8 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.57 -25.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 5.51 44.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -129.81 20.78 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -76.22 135.97 39.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 19' ' ' VAL . 93.4 t -95.41 -3.12 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.6 t0 49.74 99.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -22.58 62.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.48 92.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -138.35 149.06 61.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -87.49 84.32 7.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.587 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.0 m -94.79 134.89 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.542 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -149.98 171.21 6.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 39.41 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.43 -44.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.506 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.4 tt0 -72.91 -40.51 65.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.84 -30.68 67.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 108.239 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -92.79 1.98 56.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.5 t-20 -102.5 -40.29 6.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.53 -28.49 67.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.32 75.54 0.31 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.43 -159.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 m -121.47 150.92 40.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -116.02 173.1 6.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 29.0 t70 179.12 144.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.617 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.2 p -133.77 15.92 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -50.52 72.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.806 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.56 136.16 12.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.99 -38.73 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.84 -31.99 0.49 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.806 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -101.47 170.41 6.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 91.6 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.617 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -33.47 -52.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.02 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.17 112.26 24.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 108.295 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -132.65 161.43 33.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.0 mtpt -64.92 163.72 27.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 116.93 4.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.769 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.1 tt -33.09 131.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.756 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -63.24 77.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.4 pt-20 -48.17 117.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -156.7 100.46 1.93 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 57.1 89.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.8 t -158.29 -65.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.338 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -47.34 -42.14 20.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.0 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 176.33 74.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -138.48 121.76 17.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.7 p -175.26 65.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -127.9 113.35 1.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.14 46.55 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.691 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 10.9 p 174.6 122.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 84.38 -67.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -53.82 -37.49 63.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -77.74 -37.51 49.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 41.75 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -100.12 40.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.958 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.06 152.45 41.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.958 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.02 -59.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.079 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.72 -23.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.95 4.49 53.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.52 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -121.66 11.12 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.0 mmt85 -77.18 118.67 19.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -85.22 -8.36 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.8 t70 58.75 118.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -26.06 26.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.248 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.8 90.14 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.586 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.5 m-85 -139.26 147.46 53.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -74.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -87.32 82.76 7.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.57 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.586 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.7 m -94.64 138.46 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.541 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -151.57 170.93 7.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 39.97 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 10.8 tptm -178.32 -47.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.453 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.2 tp10 -68.9 -43.39 75.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -65.97 -37.52 86.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 108.341 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -83.55 -8.33 59.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 12.2 t-20 -93.76 -41.22 9.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.532 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.15 -22.45 28.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.47 72.01 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.01 -156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.495 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -122.93 151.67 41.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.6 t80 -117.31 173.87 6.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.566 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 33.2 t70 -179.58 142.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.628 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.6 p -136.11 16.33 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -37.89 88.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.487 HD13 HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -153.42 132.31 6.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -34.19 3.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.87 -40.67 2.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.079 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -95.1 172.89 4.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 93.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.628 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.79 -54.24 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 107.983 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -93.8 112.24 24.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 108.349 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.3 p90 -132.65 164.58 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -63.27 162.36 25.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.97 121.44 6.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.783 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -35.25 126.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.87 68.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.653 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.3 pm0 -43.92 118.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.56 38.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.87 175.21 10.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.5 m -79.91 -55.51 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 108.269 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.1 m 56.33 80.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 179.99 102.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.7 t80 177.57 103.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.489 ' O ' HG22 ' A' ' 4' ' ' VAL . 8.3 p -175.88 48.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.86 58.13 13.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.622 ' H ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -92.91 26.59 2.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.7 p -177.28 -169.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.781 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -94.51 29.66 2.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -54.23 -55.66 25.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -64.55 -29.0 70.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -113.84 46.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.781 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -116.94 52.51 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.967 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.3 150.39 38.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.967 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 3.12 5.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.789 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.761 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.83 -22.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.52 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -90.63 5.3 48.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.495 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.41 21.54 5.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.824 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.2 mmt180 -76.05 136.35 39.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 20' ' ' ASP . 12.5 t -96.4 0.07 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.4 t70 46.12 97.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -23.79 64.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 108.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.23 93.77 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.8 m-85 -139.29 148.51 57.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.596 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -88.11 84.72 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.621 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.578 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -95.72 137.11 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -151.23 172.15 5.69 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 40.22 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.1 tttt -178.84 -49.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 2.3 tt0 -66.55 -44.26 82.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.59 -34.94 79.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.274 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 7.3 t-20 -89.31 -1.42 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.5 t30 -96.15 -38.59 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.72 -27.02 68.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.99 74.57 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.27 -158.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.2 m -122.02 151.06 41.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.287 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.4 t80 -115.95 173.14 6.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 30.6 t70 179.55 144.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.7 p -133.39 16.3 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.66 -51.87 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.806 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.86 135.04 13.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -37.64 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.05 -30.37 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.806 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -103.04 171.06 5.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 92.08 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -34.31 -52.94 0.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 107.969 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.7 t -93.9 111.59 23.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 108.336 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.824 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.9 p90 -131.87 161.8 32.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -64.44 163.22 27.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.495 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 116.41 4.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.776 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.9 tt -33.27 133.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.741 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -64.31 75.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -52.47 98.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -149.73 -69.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.74 -173.42 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.5 m -56.58 146.9 23.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 46.4 p -56.17 -58.2 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 61.7 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -95.17 -179.08 4.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.744 ' HB2' HD23 ' A' ' 6' ' ' LEU . 24.4 t80 -107.16 -46.79 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t 73.75 59.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.24 -23.28 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.744 HD23 ' HB2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -75.16 148.48 39.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.44 ' N ' HD12 ' A' ' 6' ' ' LEU . 2.4 p 54.35 -174.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -91.6 26.35 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -46.0 -43.52 14.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.3 mp0 -75.53 -29.86 59.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -111.06 43.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -114.29 53.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.941 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.68 149.85 36.63 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.941 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.99 2.93 6.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.755 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.22 -20.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.521 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.45 5.3 49.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.89 21.62 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.831 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.9 mmt180 -75.33 137.17 40.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 20' ' ' ASP . 20.7 t -96.93 -4.03 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER 49.4 99.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -23.89 61.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.86 93.52 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -138.76 148.62 59.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -77.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.455 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -86.28 82.32 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.58 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.0 m -92.44 136.06 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.9 p -151.06 170.2 8.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.613 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.95 39.51 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.79 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.7 tp10 -76.02 -40.01 54.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.14 -29.25 63.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.28 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -94.23 2.24 55.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.3 t30 -103.1 -42.37 5.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -28.25 59.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.93 75.22 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.77 -159.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 m -121.05 152.09 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 108.349 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.613 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.4 t80 -117.39 173.28 6.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.553 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.0 t70 179.53 145.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.0 p -136.56 16.32 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -46.76 87.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.779 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -146.09 133.48 10.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 -37.81 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.88 -29.13 0.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.779 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -104.26 170.98 5.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 91.56 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.0 m0 -33.76 -53.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.017 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -93.13 113.32 25.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.262 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.831 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.9 p90 -134.08 162.42 32.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -66.06 163.54 36.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 118.51 5.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.662 ' C ' HD23 ' A' ' 52' ' ' LEU . 3.3 tt -33.11 137.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.3 mp0 -55.99 86.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -65.64 87.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.06 134.87 50.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -151.78 115.46 4.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 t 56.26 97.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.339 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 t -143.35 -47.74 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.382 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.9 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -143.61 -67.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -168.74 173.07 7.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 4' ' ' VAL . 5.7 p -175.4 103.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.82 104.25 2.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.97 76.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.3 p -177.65 -93.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.789 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -137.93 12.91 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -56.86 -48.33 78.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -67.62 -37.42 82.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.255 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 45.52 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.789 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -103.69 44.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.965 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -99.45 155.76 36.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.965 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -58.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.904 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.46 -25.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -4.62 57.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -113.56 14.65 19.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.788 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 4.8 mmt180 -77.03 103.03 6.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 20' ' ' ASP . 40.4 t -64.83 -14.68 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.6 t70 59.46 117.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -22.01 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 108.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.86 90.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.597 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 10.2 m-85 -135.31 149.07 68.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -73.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.46 1.769 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.496 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -89.63 84.82 6.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.613 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 22.3 m -96.31 139.32 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.557 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.4 p -153.16 172.06 6.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.616 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 40.48 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.446 1.761 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -178.86 -50.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.509 ' HB3' HG23 ' A' ' 27' ' ' THR . 3.2 tt0 -65.6 -45.03 84.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -63.2 -35.51 80.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 108.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 8.6 t-20 -88.96 -1.7 58.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.6 t30 -96.0 -37.94 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.06 -28.24 69.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.31 73.98 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 172.25 -159.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -120.57 151.67 39.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 108.289 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.616 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.7 t80 -115.98 172.81 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 33.4 t70 -179.53 141.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.626 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.3 p -134.87 17.14 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -41.9 96.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.84 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.59 132.91 8.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.432 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 -36.83 2.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.93 -27.69 1.06 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.474 1.108 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.904 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.58 170.65 5.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 0.737 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 89.82 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.626 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -32.27 -53.95 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 108.01 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.63 114.9 26.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.788 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.6 p90 -134.8 164.95 26.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.3 mtpt -64.79 162.87 32.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.05 125.68 9.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.725 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -37.29 137.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -67.14 74.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.593 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -45.61 115.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.0 179.19 7.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -66.35 -178.35 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.5 m 74.74 116.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 108.272 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.0 t -57.95 161.9 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.72 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.331 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -137.41 155.9 48.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 m -145.51 -170.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -168.05 -94.72 0.1 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.7 OUTLIER 34.4 87.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.747 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 1.6 p 161.69 -27.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.796 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 173.86 -33.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -55.88 -50.6 70.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -69.0 -36.55 77.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.63 44.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.796 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -100.09 38.85 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.951 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.84 151.57 39.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.951 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 -59.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.043 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 162.14 -23.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 3.47 55.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.548 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -120.63 11.27 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.742 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.8 mmt85 -77.23 119.62 21.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.4 t -85.83 -9.18 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER 59.74 116.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.47 -22.67 28.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 108.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.15 92.41 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.9 m-85 -139.71 149.06 58.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.479 0.752 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -76.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.817 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.556 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -87.79 83.85 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.572 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.8 m -94.7 136.66 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.547 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -151.51 171.48 6.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 39.8 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.789 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.88 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.556 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 3.7 tt0 -70.77 -41.12 72.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -69.77 -32.82 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.263 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -90.17 -2.03 58.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.8 t-20 -98.18 -41.44 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.366 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -29.53 64.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.93 75.08 0.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.48 -159.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -120.19 152.18 38.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.1 t80 -117.9 173.37 6.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.558 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 31.7 t70 -179.85 144.41 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.636 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.2 p -138.62 14.55 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.954 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -60.94 -35.05 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.545 HD13 HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.36 132.56 6.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -35.95 2.88 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.537 1.809 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.37 -42.5 1.83 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.043 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -93.07 172.23 6.32 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 93.02 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.636 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.8 m0 -32.8 -54.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.013 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.71 114.34 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.742 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.7 p90 -134.52 163.51 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.78 162.08 18.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.03 120.66 6.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.571 ' HB2' HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -37.12 139.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.35 84.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -59.7 91.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.241 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.84 89.09 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -32.44 37.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 99.2 m 59.5 178.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 59' ' ' PHE . 2.3 t -43.54 -49.39 7.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.4 ' N ' HG23 ' A' ' 58' ' ' THR . 1.2 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.289 -0.264 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.09 148.24 27.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -82.53 -175.47 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 4' ' ' VAL . 2.3 t 65.98 92.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.237 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.669 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -82.45 5.01 75.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.669 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 38.03 90.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 9' ' ' ASN . 18.1 p 52.7 -174.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.948 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 66.97 -74.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -52.34 -66.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -37.39 60.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 39.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 9' ' ' ASN . . . -98.72 41.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.968 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.69 153.15 42.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.968 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 -59.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.082 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.92 -23.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.98 1.1 57.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -117.73 11.33 13.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.737 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.4 mmt85 -77.21 117.31 18.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 t -83.62 -9.57 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 60.08 119.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.78 -26.28 27.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.98 88.79 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.2 m-85 -139.3 146.83 50.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -69.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -90.61 83.73 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.596 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.3 m -97.15 135.92 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.571 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.6 p -149.93 171.99 5.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 40.25 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.57 -49.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.8 tt0 -67.29 -43.08 82.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.571 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -64.75 -39.47 93.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -82.26 -7.36 59.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 44.8 t-20 -93.22 -38.35 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.599 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -60.59 -22.73 64.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.98 72.94 0.51 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.35 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.7 m -123.12 150.74 42.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.246 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.3 t80 -115.31 173.62 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 35.4 t70 178.43 141.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.611 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.2 p -135.55 17.95 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -37.77 83.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.693 HD13 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -155.89 135.63 8.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -36.84 2.31 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.6 -34.03 0.66 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.082 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -101.23 170.48 6.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 91.83 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.611 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.1 m0 -32.77 -53.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.43 111.97 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 108.268 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.737 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -132.25 164.85 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -64.36 163.22 27.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 120.57 6.13 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.788 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.8 tt -34.37 123.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.564 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -67.9 61.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.252 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.718 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -37.61 124.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -169.92 -66.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.34 93.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.83 -63.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 m -69.57 120.77 15.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -99.95 140.05 34.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.88 169.59 4.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.458 ' CG1' ' CD2' ' A' ' 6' ' ' LEU . 4.5 t -147.57 114.36 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.92 101.86 0.7 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' CD2' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -111.84 -16.91 13.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 78.2 p -161.42 162.93 30.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 74.07 -82.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -49.22 -42.61 40.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 6.6 tt0 -73.33 -31.38 63.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.06 46.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -116.2 54.57 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.015 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.16 151.66 43.27 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.015 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 2.09 7.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.447 1.762 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.983 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.48 -26.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.47 6.69 36.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.497 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -130.45 20.3 5.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.9 OUTLIER -76.5 136.29 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 19' ' ' VAL . 77.9 t -96.3 -2.11 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.0 t0 48.63 99.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.77 -23.56 61.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.2 93.89 0.04 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.095 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.5 m-85 -139.55 148.69 57.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -75.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.596 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -88.66 84.61 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.619 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.5 m -95.42 134.93 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.545 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -150.6 171.41 6.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.577 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 38.65 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.9 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.596 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 3.6 tt0 -74.4 -37.88 63.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.262 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.02 -27.14 59.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.263 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.455 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.2 m120 -94.54 0.42 55.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.6 t30 -101.61 -42.27 6.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -29.67 62.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.91 76.19 0.34 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.48 -158.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -121.5 151.35 40.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.1 t80 -117.18 173.41 6.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 -179.89 145.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.611 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 78.2 p -134.67 14.11 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.965 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -53.21 60.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.584 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.69 135.81 15.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -37.83 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.45 -42.5 1.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.983 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.31 171.24 8.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.97 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.611 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.43 -53.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -93.95 111.02 22.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 108.299 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -130.88 162.45 29.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.3 mtpt -65.41 166.57 13.41 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 122.28 7.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.784 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -35.59 128.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.518 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -66.95 59.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.758 ' N ' HD23 ' A' ' 52' ' ' LEU . 5.4 pt-20 -38.46 117.29 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 57' ' ' CYS . . . -155.96 98.92 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 70.11 -60.24 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -164.54 -60.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.291 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 t -172.41 -45.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.4 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.0 98.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -148.08 139.17 23.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 4' ' ' VAL . 7.7 p -166.35 81.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.849 ' C ' HD13 ' A' ' 6' ' ' LEU . . . -125.42 -2.44 7.55 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.849 HD13 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -113.81 158.91 20.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 0.749 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 25.2 p 60.7 102.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 83.22 -66.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.403 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 16.0 m-80 -47.55 -68.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.492 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 6.2 pt20 -46.13 -41.85 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.492 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -103.32 43.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 108.293 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -99.83 38.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.15 150.76 40.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -55.99 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.119 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 157.97 -21.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 2.52 55.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.1 m-20 -120.07 11.7 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.711 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.2 mmt85 -76.35 117.49 18.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -81.78 -9.37 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.493 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 51.6 t0 58.46 115.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -84.89 -24.31 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 108.247 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.87 91.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.3 m-85 -137.37 148.62 62.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -90.8 85.44 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.57 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.599 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.7 m -96.63 138.71 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.552 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.4 p -152.74 170.38 8.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 40.07 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.29 -44.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.463 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.3 tt0 -72.47 -41.83 65.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.536 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -68.1 -37.08 80.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.298 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.53 -5.29 59.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 22.1 t-20 -98.02 -39.51 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -57.71 -25.85 60.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.12 72.91 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.19 -157.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -121.5 151.11 40.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 108.311 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.9 t80 -116.41 173.66 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.3 t70 178.58 142.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.8 p -135.14 15.81 3.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -60.18 -41.65 93.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.588 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.66 133.94 8.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -34.97 3.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.429 1.752 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.56 -33.61 1.0 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.119 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -101.22 171.05 5.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.372 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 90.39 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.0 m0 -31.43 -56.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -92.23 109.68 21.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.711 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.2 p90 -130.11 165.7 21.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.8 mtpt -66.48 163.72 38.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.497 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 126.19 9.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.74 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -36.23 132.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -64.74 75.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.53 ' N ' HD23 ' A' ' 52' ' ' LEU . 8.0 pt-20 -44.41 118.0 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -161.34 -69.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -46.56 -54.65 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 110.32 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.03 171.81 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.5 p -95.83 175.52 6.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.8 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' O ' HD21 ' A' ' 6' ' ' LEU . 3.4 pt-20 -169.56 -57.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.537 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -96.46 94.26 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.39 47.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 127.66 -67.15 0.55 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.68 ' H ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -42.04 160.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 p 73.64 -178.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -106.18 12.32 30.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -44.36 -35.74 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.1 tt0 -81.0 -34.43 32.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.1 m -113.69 46.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 108.321 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -116.07 55.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.033 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.05 152.06 42.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.033 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 3.28 5.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.897 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 84.55 -26.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.2 4.52 45.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -128.36 20.9 6.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.804 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -76.3 138.44 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 19' ' ' VAL . 55.1 t -98.15 -0.17 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 19' ' ' VAL . 5.6 t70 46.09 97.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -23.66 63.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.84 94.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.4 m-85 -140.3 148.56 54.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -77.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.602 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -87.7 85.74 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.526 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.3 m -96.87 136.0 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.555 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -150.55 171.64 6.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 39.33 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.58 -44.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.602 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 2.9 tt0 -72.52 -39.1 67.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -72.53 -33.07 66.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 108.311 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -85.34 -6.41 59.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 16.2 t-20 -99.1 -40.26 8.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.54 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 3.4 tpt180 -55.1 -26.0 35.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 118.65 72.62 0.41 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.91 -158.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.9 m -120.2 151.43 39.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -116.03 173.32 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.2 t70 179.62 142.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.615 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.9 p -131.54 14.4 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -54.05 49.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.238 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.692 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.85 136.27 16.13 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -37.59 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.64 -40.57 2.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.897 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -92.86 171.2 7.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 93.2 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.615 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -34.27 -52.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 108.023 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.41 111.64 23.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.804 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -131.6 161.26 33.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.549 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.5 mtpt -64.64 165.88 13.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.93 121.59 6.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.747 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -33.8 135.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -66.03 74.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.488 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -42.75 127.9 4.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.37 -66.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -122.95 170.18 10.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 73.65 -60.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.316 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.0 p -40.27 -60.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 179.56 -63.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -113.12 87.81 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.69 110.03 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.52 105.0 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.452 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -121.46 -56.98 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.262 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.691 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 80.4 p -149.16 143.94 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.036 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 84.16 -71.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -49.48 -33.23 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 52' ' ' LEU . 3.2 pt20 -81.06 -37.88 28.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.9 43.88 1.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 108.27 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -101.01 39.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.013 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.04 153.59 43.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.013 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 -59.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.016 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.21 -24.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 0.59 57.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.538 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -118.25 12.82 13.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.8 mmt85 -76.2 112.22 12.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 19' ' ' VAL . 2.2 t -73.43 -13.04 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER 60.05 118.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.01 -13.68 55.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.45 79.0 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.656 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -144.85 147.74 36.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.97 -87.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.426 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -58.04 84.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.65 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.561 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.3 m -113.46 119.55 61.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.53 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -137.83 171.9 7.65 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 37.87 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.8 tmtt? -174.74 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.93 -38.1 46.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -74.3 -26.89 60.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 108.325 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -96.43 2.54 52.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 6.7 t30 -100.23 -43.84 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.656 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.96 -34.06 65.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.46 71.64 0.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.76 -157.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.5 m -122.66 149.16 44.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.6 t80 -116.87 173.81 6.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.3 t70 179.89 143.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.631 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.2 p -136.28 14.43 3.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -58.88 -43.69 90.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.776 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.55 134.04 9.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 -33.15 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.49 -31.34 2.4 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.016 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -101.76 170.77 6.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 87.72 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.631 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -29.41 -56.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.038 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -92.46 114.39 26.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.281 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -135.5 164.35 28.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.3 mttt -63.97 161.96 34.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.5 Cg_endo -74.97 125.3 9.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.749 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -35.82 134.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 mp0 -65.16 74.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.534 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.1 pp20? -44.24 120.31 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.92 162.42 39.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.73 150.69 46.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.4 t 76.05 -67.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.274 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.429 HG23 ' H ' ' A' ' 58' ' ' THR . 82.2 p -39.59 -32.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 176.79 179.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -137.35 163.84 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.8 p -164.79 105.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.873 ' C ' HD13 ' A' ' 6' ' ' LEU . . . -164.1 100.47 0.18 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.873 HD13 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -119.99 -41.79 2.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.326 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.654 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 2.2 p 177.74 85.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 166.31 -76.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -52.43 -53.31 46.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -63.73 -28.57 69.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.85 46.16 1.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.71 46.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.921 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.68 149.09 50.51 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.921 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.98 1.33 7.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.451 1.763 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.023 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.08 -24.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.97 13.63 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.537 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -136.73 16.25 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.684 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.1 mmt85 -76.02 118.31 18.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' ASP . 97.2 t -81.74 -9.09 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 59.01 116.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -19.8 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 108.338 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.51 92.45 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.4 m-85 -139.48 148.3 55.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 111.025 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -76.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -87.44 83.47 7.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.599 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.1 m -94.2 134.98 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.526 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -150.57 170.83 7.15 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.0 39.12 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 7.0 tmtm? -177.23 -41.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.7 tt0 -76.14 -39.04 55.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -73.22 -29.47 62.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 108.308 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -94.13 2.55 55.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.6 t30 -103.36 -40.59 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -31.21 67.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.79 75.16 0.21 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.87 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -120.16 152.84 37.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.5 t80 -119.2 173.5 6.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.077 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.5 t70 -179.03 144.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.63 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.8 p -134.63 13.84 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -49.64 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.607 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.63 136.94 13.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.03 -37.21 2.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.77 -44.26 1.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.023 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.18 169.47 11.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 90.85 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.63 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.2 -56.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.038 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 t -90.0 119.78 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.684 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -142.49 164.35 30.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.7 mttt -67.84 163.59 48.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 123.13 7.66 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.445 1.761 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.769 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.3 tt -32.44 138.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.762 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.3 mp0 -65.25 73.66 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.466 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.7 pt-20 -43.61 120.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.72 104.2 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -64.71 147.7 52.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.7 t -173.02 66.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 108.305 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.8 t -109.51 140.39 43.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -160.49 118.17 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.781 ' O ' HG23 ' A' ' 4' ' ' VAL . 7.3 t80 -37.73 136.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -173.2 95.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.88 100.19 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.833 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -74.99 -85.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 6' ' ' LEU . 1.1 p 36.54 -100.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.879 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -154.41 20.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.73 -60.28 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -61.89 -25.01 67.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.06 48.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.879 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -111.23 43.87 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.875 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.4 147.37 46.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.875 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.94 0.86 8.36 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.02 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.07 -20.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.18 11.36 28.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.52 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.94 16.67 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.666 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.2 mmt85 -75.78 115.41 15.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.8 t -80.76 -8.6 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.3 t70 58.9 117.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.86 -18.27 38.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.38 92.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 11.7 m-85 -140.9 146.4 43.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -75.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.61 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -87.52 84.34 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.651 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.1 m -96.21 134.88 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.547 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.8 p -150.38 171.67 6.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.557 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 39.43 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.44 1.758 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.29 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.61 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 7.4 tt0 -73.87 -37.54 64.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.2 -27.6 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.3 m120 -93.84 -0.92 55.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 7.5 t-20 -100.68 -43.29 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.55 -31.83 57.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.05 75.47 0.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.22 -159.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.92 153.07 36.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 108.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.4 t80 -118.06 173.35 6.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.6 t70 -179.11 142.18 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.423 1.077 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.626 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.3 p -133.23 15.66 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.054 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -58.26 -51.1 71.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.607 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.31 137.12 14.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.97 -36.72 2.41 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.806 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.54 -43.0 1.48 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.02 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.73 169.32 10.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 91.26 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.626 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.2 m0 -29.63 -56.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.025 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 t -90.41 117.58 29.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 108.331 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.666 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.9 p90 -139.35 165.23 27.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -66.93 163.65 42.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.0 121.83 6.83 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.785 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -32.44 138.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.706 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -59.35 82.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.502 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.0 pt-20 -50.13 116.54 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.06 151.01 36.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.73 95.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 -58.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 108.325 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 m 49.13 75.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 40.8 36.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -165.13 159.82 18.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.69 HG23 ' N ' ' A' ' 5' ' ' GLY . 8.8 m -108.03 -141.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.69 ' N ' HG23 ' A' ' 4' ' ' VAL . . . 123.51 2.52 8.89 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.38 155.83 27.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.796 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.686 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 90.9 p -56.05 115.01 2.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 163.91 -89.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -46.44 -52.32 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.12 -29.0 70.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.265 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -112.06 45.51 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.67 49.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.886 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.9 148.9 40.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.886 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.95 1.95 7.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.015 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.12 -20.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.06 6.96 44.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.51 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -131.61 20.49 4.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.807 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.8 mmt180 -75.44 126.41 30.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 19' ' ' VAL . 91.5 t -89.33 -2.16 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.5 t0 39.34 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -14.85 62.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.368 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.55 102.74 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 19.1 m-85 -141.74 145.59 37.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.498 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -81.07 82.6 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -91.47 137.47 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.55 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.0 p -152.22 170.23 8.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 39.16 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.87 -41.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.498 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.7 tt0 -75.94 -38.91 57.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -73.14 -28.55 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.303 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.3 m120 -90.36 -4.58 56.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.1 t30 -99.9 -41.53 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.21 -24.16 25.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.04 73.09 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 173.29 -154.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.489 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.6 m -126.15 149.26 49.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.1 t80 -115.61 173.51 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.3 t70 -176.99 142.95 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.603 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.2 p -133.65 13.92 4.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.04 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -61.48 -48.32 81.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.538 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.05 132.58 12.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -36.93 2.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.34 -46.72 2.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.015 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -86.62 171.6 9.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.533 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 92.72 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.603 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.4 m0 -32.16 -52.4 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.487 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.3 t -92.8 126.64 37.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 108.267 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.807 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -149.43 165.26 32.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.7 mtpt -68.97 163.74 53.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -74.99 122.69 7.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.794 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.1 tt -34.32 140.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.794 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.2 mp0 -62.28 79.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -54.01 105.27 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -136.95 137.02 39.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.16 122.31 15.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.408 ' C ' HG22 ' A' ' 58' ' ' THR . 26.1 p -63.62 169.95 3.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 108.27 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.408 HG22 ' C ' ' A' ' 57' ' ' CYS . 1.3 t 39.28 68.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.373 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' THR . 7.8 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -159.35 -174.51 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -123.06 159.89 27.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.8 t -138.82 114.69 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -125.07 -1.64 7.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.737 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -122.79 58.91 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 91.9 p -138.23 -44.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.665 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 176.96 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ALA . 40.7 m-20 -36.53 -37.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -50.27 10.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -106.39 46.74 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.665 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -110.3 54.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.877 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -96.94 148.25 34.12 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.877 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 1.57 7.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.037 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.53 -20.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.39 6.78 44.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -131.2 20.43 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.815 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -76.12 126.54 31.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.3 t -90.06 -7.85 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.6 t70 55.81 109.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -19.78 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 108.26 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.66 91.38 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.586 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.3 m-85 -140.02 148.34 54.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -71.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.478 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -91.91 86.89 6.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.591 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.57 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.2 m -98.41 133.25 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.559 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.9 p -147.49 172.13 5.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.627 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 39.44 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.779 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -177.79 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.51 ' HB3' HG23 ' A' ' 27' ' ' THR . 4.2 tt0 -71.3 -39.68 71.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.42 -38.04 74.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 108.271 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -83.9 -1.95 55.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.8 t30 -101.5 -37.83 8.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.586 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -59.22 -29.3 67.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.11 72.61 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 168.98 -158.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -119.63 152.06 37.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 108.31 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.5 t80 -115.88 173.27 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.1 t70 -179.03 142.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.0 p -133.75 16.34 3.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -49.12 78.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.583 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.48 136.8 13.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.98 -37.64 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.547 1.814 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.44 -43.55 1.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.037 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.6 169.32 11.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.554 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 92.21 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -30.83 -54.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 107.979 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -93.49 112.81 24.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.815 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.6 p90 -133.13 167.44 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -68.76 163.91 50.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 121.61 6.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.735 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.1 tt -33.18 136.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.463 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.1 mp0 -63.54 77.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 10.5 pt-20 -46.65 115.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.02 -64.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.35 171.61 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.7 139.62 37.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 108.275 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.4 t -129.61 163.99 24.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.366 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.5 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.984 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -121.56 125.31 46.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -175.36 126.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.436 ' CG1' ' HB2' ' A' ' 9' ' ' ASN . 4.4 t -139.85 152.2 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.677 ' C ' HE22 ' A' ' 10' ' ' GLN . . . -166.18 28.66 0.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 7' ' ' SER . 0.5 OUTLIER -130.23 93.47 3.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.706 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 86.1 p 40.22 92.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 159.67 -94.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.436 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 33.2 t-20 -44.83 -48.66 11.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.677 HE22 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -66.6 -30.47 70.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.334 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -110.54 44.68 1.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.54 52.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.986 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.86 150.87 41.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.986 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 1.07 8.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.437 1.756 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.013 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.36 -27.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.3 7.99 29.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -131.71 20.22 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.829 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.5 mmt180 -76.01 136.6 39.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 20' ' ' ASP . 38.7 t -96.46 -4.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.4 t0 51.12 102.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -26.57 64.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 108.345 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.46 89.07 0.11 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 6.8 m-85 -138.31 148.49 59.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -72.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -90.74 84.06 5.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.6 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -95.48 118.75 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 29' ' ' LYS . 7.8 p -129.16 169.31 13.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.63 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 38.72 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.59 -38.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.456 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 1.9 tt0 -77.72 -41.99 35.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -65.72 -36.62 84.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.317 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -84.33 -4.81 59.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.3 t30 -99.49 -38.97 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.589 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -58.3 -26.61 63.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.69 72.49 0.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 169.95 -158.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.1 m -121.85 150.61 41.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.7 t80 -114.16 173.28 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 23.2 t70 -179.86 141.1 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.606 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.1 p -130.83 16.26 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -51.28 70.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.592 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.71 136.74 14.62 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.05 -38.09 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.62 -45.23 1.94 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.013 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -89.35 170.76 10.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.514 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.07 93.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.606 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -33.5 -51.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.9 t -95.35 111.8 23.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 108.268 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.829 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -132.07 165.07 24.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -68.83 163.49 55.27 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.01 118.54 5.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.762 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.3 tt -32.8 130.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.72 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -63.6 76.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 8.1 pt-20 -46.92 117.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.21 139.82 23.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.25 158.01 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.2 t -158.37 -63.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 108.341 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.0 m -142.6 142.98 32.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 179.976 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 54.56 103.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -167.77 141.98 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.572 HG22 ' H ' ' A' ' 6' ' ' LEU . 7.1 p -176.47 132.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.471 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -84.88 22.31 9.64 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.117 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.572 ' H ' HG22 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -34.96 99.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.59 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 91.6 p 40.04 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 169.96 -72.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -61.03 -55.15 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.4 pt20 -63.15 -25.82 68.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.92 43.75 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.77 50.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.912 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.74 149.3 41.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.912 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.81 . . . . 0.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.99 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.02 -14.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.92 2.87 52.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.681 ' HB3' HG12 ' A' ' 13' ' ' VAL . 4.6 t0 -130.15 22.77 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.807 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.7 mmt180 -74.49 138.21 43.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.0 t -97.18 -6.9 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.1 t0 51.8 101.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -22.93 61.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.98 91.71 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.1 m-85 -139.49 147.98 54.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -70.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -92.08 85.49 5.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.5 m -97.97 132.15 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.552 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -146.95 171.14 6.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 38.62 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.16 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.607 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.2 tt0 -77.42 -35.65 53.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.99 -29.38 58.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.279 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.727 HD22 ' HB3' ' A' ' 38' ' ' PHE . 3.1 m120 -89.97 -3.6 57.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 20.6 t-20 -100.21 -41.01 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.593 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.42 -27.56 48.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.07 73.95 0.39 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.19 -158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -120.5 151.63 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.304 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.727 ' HB3' HD22 ' A' ' 32' ' ' ASN . 79.4 t80 -116.61 173.26 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 23.1 t70 -179.48 143.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.608 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.7 p -134.93 16.92 3.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -47.5 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.513 ' H ' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -144.15 132.17 10.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -36.06 2.74 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.71 -36.56 1.1 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.99 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -97.76 171.64 5.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.539 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 91.25 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.608 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -31.8 -53.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 108.037 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 t -92.78 112.1 23.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.332 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.807 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.9 p90 -133.4 162.74 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -66.78 163.51 42.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.99 119.64 5.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.815 HD23 ' N ' ' A' ' 53' ' ' GLN . 3.0 tt -31.63 141.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.815 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.6 mp0 -67.8 69.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' LEU . 1.1 pm0 -39.65 129.32 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.74 80.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.45 159.39 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.5 p -116.97 88.72 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.293 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 59' ' ' PHE . 4.2 t -134.13 -49.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.381 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.429 ' N ' HG23 ' A' ' 58' ' ' THR . 13.8 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.33 -58.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -161.64 155.65 22.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 5' ' ' GLY . 3.4 p -178.42 77.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 4' ' ' VAL . . . 36.25 88.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.29 -41.34 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.8 p -132.55 -151.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -100.04 29.41 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -49.98 -53.62 25.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -65.22 -28.59 69.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -113.5 46.15 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 108.268 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -116.2 53.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.93 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.13 149.65 36.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.93 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 1.53 7.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.036 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.29 -20.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.9 4.51 52.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -129.27 21.14 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.833 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.2 mmt180 -75.06 137.61 41.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.343 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.9 t -98.5 -1.46 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.464 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.7 t70 47.6 98.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -25.2 62.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 108.305 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.85 93.48 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.5 m-85 -138.11 148.27 59.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.799 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.558 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -88.26 84.02 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.1 m -93.89 138.57 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.592 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 2.7 p -150.9 172.38 5.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.87 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -177.53 -54.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -60.23 -45.65 92.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -64.24 -35.92 82.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -89.71 3.12 53.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LYS . 15.8 t30 -104.28 -36.29 7.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -26.97 68.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.93 73.1 0.22 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.39 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.5 m -123.4 151.71 42.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.2 t80 -116.39 173.73 6.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.555 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.3 t70 -179.64 144.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.0 p -134.66 14.26 3.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -58.67 -48.9 79.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.547 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.57 134.88 12.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -37.76 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.96 -43.74 1.82 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.036 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -90.55 170.89 9.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 93.73 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -33.47 -53.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 107.997 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.84 110.04 21.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.833 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -129.96 163.48 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -66.41 164.12 34.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.96 116.77 4.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.796 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.7 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.6 tt -34.27 131.95 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.443 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -58.33 83.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -60.64 95.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.28 -59.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.2 130.59 47.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.3 m -50.93 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 108.303 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.4 m -119.79 -63.26 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.448 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.985 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.578 ' O ' HG12 ' A' ' 4' ' ' VAL . 14.4 pt-20 -139.12 -173.04 3.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -37.43 144.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 2' ' ' GLU . 2.4 p 179.12 97.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 4' ' ' VAL . . . 41.08 94.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.4 -44.0 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.3 p -131.29 -149.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.937 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -92.15 28.07 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -52.31 -50.64 61.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -67.98 -29.28 68.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.3 45.91 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -110.9 43.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.899 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -84.68 147.82 50.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.899 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.04 4.04 5.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.973 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.18 -15.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.71 7.03 47.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.86 16.96 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.1 mmt85 -75.0 112.43 11.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 60.5 t -78.54 -7.88 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 58.06 114.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -81.49 -20.75 39.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.261 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.08 91.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 16.3 m-85 -138.21 146.6 52.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -78.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.423 1.749 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -86.04 83.62 7.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.589 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.0 m -93.83 138.68 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.7 p -152.78 170.65 7.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.98 40.99 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 27' ' ' THR . 5.5 tmtt? -178.71 -47.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.474 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.0 OUTLIER -70.74 -42.89 69.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.2 -30.93 71.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.285 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -92.73 2.87 56.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 34.7 t-20 -103.53 -39.29 6.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -59.34 -31.1 68.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.57 73.51 0.18 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.89 -160.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.51 154.13 34.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.7 t80 -118.17 173.29 6.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.56 ' O ' ' CG ' ' A' ' 47' ' ' TRP . 11.1 t70 179.77 145.75 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.652 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.6 p -139.63 16.03 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -61.76 -34.91 76.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.512 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.24 132.43 6.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -38.03 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.15 -34.42 0.33 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.973 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -100.39 169.19 8.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 89.49 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 9.5 m0 -28.92 -57.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.401 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.8 t -89.97 117.36 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 108.326 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.7 p90 -139.3 165.66 26.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -68.66 164.41 45.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 124.61 8.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.773 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.9 tt -34.31 137.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.684 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -62.11 79.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' LEU . 5.2 pt-20 -47.32 120.57 3.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -161.15 58.52 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -109.66 -59.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 74.0 m -106.93 -76.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 108.32 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 p -122.09 175.1 6.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.46 77.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.335 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' CE2' ' HG ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -126.95 151.96 47.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.406 ' HB ' ' O ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -177.84 129.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.713 ' C ' HD13 ' A' ' 6' ' ' LEU . . . 48.55 99.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -104.7 -79.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 p -91.02 -78.18 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -131.48 8.73 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -44.93 -26.53 0.43 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -91.74 -34.61 14.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -115.39 46.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -116.29 55.2 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.04 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.29 152.29 42.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.04 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 2.56 6.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.766 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.42 -26.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.12 4.28 46.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -127.91 20.54 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.794 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.39 135.69 39.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 19' ' ' VAL . 53.6 t -94.81 -0.35 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.7 t70 46.47 97.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -25.17 64.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 108.277 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.98 92.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.2 m-85 -137.98 149.84 65.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 0.8 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -77.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -88.02 84.69 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.588 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.6 m -95.05 134.42 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.551 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -148.59 171.52 6.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 40.44 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.55 -47.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.511 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.3 tt0 -69.66 -42.05 74.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -67.9 -33.0 73.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 108.326 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -90.06 -1.8 58.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.6 t-20 -98.08 -40.1 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -30.5 68.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.47 75.37 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.32 -159.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.0 m -121.61 150.53 41.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.6 t80 -115.28 173.07 6.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.3 t70 179.51 144.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.4 p -133.4 15.43 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -51.75 67.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.807 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.32 134.86 12.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -38.06 1.78 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.513 1.797 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.94 -28.49 0.47 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.807 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -104.6 171.01 5.39 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 91.16 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.423 1.749 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -33.76 -53.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.064 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.6 t -93.91 110.34 22.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.285 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.794 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -130.42 161.03 32.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.4 mtpt -63.91 164.87 14.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.03 120.57 6.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.814 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -34.89 126.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.535 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.31 80.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 1.6 pt-20 -64.21 76.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' GLN . . . -122.47 163.35 20.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.0 65.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -102.91 99.82 9.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 108.274 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 m 58.6 96.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.392 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 111.035 -179.987 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -170.61 174.8 4.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.257 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -167.01 165.91 15.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 p -137.98 137.75 44.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.619 ' H ' HD13 ' A' ' 6' ' ' LEU . . . -169.73 30.52 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.125 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.754 HD22 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -126.39 43.4 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 8' ' ' ALA . 12.4 p 172.45 -175.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . -51.95 -100.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.521 ' N ' ' HB2' ' A' ' 12' ' ' ALA . 60.7 m-20 47.81 -92.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 8' ' ' ALA . 2.8 tt0 -48.67 -39.25 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 48.64 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.266 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.521 ' HB2' ' N ' ' A' ' 9' ' ' ASN . . . -111.68 47.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.892 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.21 147.79 45.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.892 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 1.92 7.21 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.0 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.76 -17.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.2 10.16 37.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.488 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -134.19 17.07 3.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.665 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.8 mmt85 -74.8 122.05 22.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 52.7 t -86.85 -8.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.6 t0 55.4 108.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.58 -19.8 60.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.36 89.2 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.597 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.6 m-85 -138.29 147.52 55.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -72.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 111.058 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.626 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -90.67 85.62 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -97.54 132.77 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.56 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.1 p -147.31 171.27 6.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.63 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.02 38.76 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.58 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.626 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.9 tt0 -74.98 -39.02 61.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -71.18 -36.4 71.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 108.323 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -84.72 -3.51 58.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 15.5 t30 -99.77 -39.8 8.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.597 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.97 -29.22 63.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.75 72.76 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.61 -159.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -118.43 153.17 34.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.6 t80 -118.1 172.83 7.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.548 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 8.0 t70 -177.97 144.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.633 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.3 p -134.97 14.6 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -57.79 -49.8 75.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.555 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.29 135.52 12.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 -36.87 2.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.36 -41.54 1.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.0 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.4 170.55 8.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.554 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.98 91.71 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.633 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.8 m0 -30.7 -56.81 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 107.97 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -89.52 118.68 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 108.327 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.665 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -140.89 166.09 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.5 mtpt -67.02 164.3 36.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.95 123.46 7.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.735 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -34.9 134.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.12 69.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.658 ' N ' HD23 ' A' ' 52' ' ' LEU . 7.0 pt-20 -39.47 122.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -176.57 52.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -175.71 -71.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.57 94.17 8.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 108.292 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -108.28 -61.26 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.0 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.983 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.37 175.71 9.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 4' ' ' VAL . 8.0 t80 -130.01 161.45 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.444 ' N ' ' CG ' ' A' ' 3' ' ' TYR . 2.1 p 178.41 111.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 10' ' ' GLN . . . -148.17 106.12 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.821 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -104.44 58.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.699 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 3.1 p 179.74 107.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 85.19 -69.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' ALA . 6.4 m120 -40.21 -47.76 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -75.12 -36.33 61.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -102.17 40.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -99.72 36.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.006 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -89.31 152.77 48.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.006 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.95 -56.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.043 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 158.77 -23.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 2.53 56.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -120.69 13.1 11.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 14.2 mmt85 -75.65 112.88 12.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 20' ' ' ASP . 36.0 t -72.64 -13.56 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER 59.44 114.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -8.19 59.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 108.296 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.38 83.44 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.1 t80 -149.28 145.72 19.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -79.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.692 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -65.95 96.51 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.632 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 19.1 m -126.41 124.59 65.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.35 173.25 5.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 39.73 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.768 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.69 -47.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.53 -39.52 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.8 OUTLIER -71.68 -27.43 63.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -95.7 3.73 53.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.7 t-20 -101.31 -40.36 7.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -59.4 -28.06 66.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.1 71.92 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.88 -154.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.0 m -125.37 150.47 47.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 108.312 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.645 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.6 t80 -117.91 173.63 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.3 t70 -179.13 147.17 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.63 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.8 p -139.82 14.25 2.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -40.57 89.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.683 HD13 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -152.2 134.26 8.54 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -33.77 4.32 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.22 -35.56 2.59 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.043 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.57 170.44 7.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.564 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 88.82 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.63 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -30.12 -57.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.466 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.3 t -91.26 114.0 26.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -135.57 165.65 25.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.3 mtpt -67.96 162.17 61.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 125.75 9.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.789 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.9 tt -34.89 138.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.738 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.1 mp0 -62.21 79.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.0 pt-20 -47.73 113.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.74 107.05 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.63 -74.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.26 -70.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.6 p -126.13 113.1 16.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.3 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 -179.975 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -149.63 -77.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -130.6 173.36 10.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 p 178.91 105.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.63 -20.07 0.79 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.65 -33.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 0.73 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.683 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 28.2 p -112.14 129.48 56.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 82.51 -76.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -40.47 -29.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.45 ' N ' ' C ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -84.67 -45.41 12.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.8 m -107.78 45.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 108.283 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -113.47 52.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.89 150.25 41.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 3.66 5.44 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.89 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.07 -23.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -89.85 8.64 31.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.946 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -132.64 19.96 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.809 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -75.89 125.97 30.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 19' ' ' VAL . 79.9 t -87.47 -1.85 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.3 t0 39.57 89.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -15.55 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.94 102.24 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 18.9 m-85 -140.67 145.93 42.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -84.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.46 1.768 . . . . 0.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.519 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -81.25 82.03 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.555 -179.953 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.9 m -90.62 136.86 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.561 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 2.7 p -150.48 171.34 6.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 40.04 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -179.55 -46.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.519 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -68.78 -44.13 74.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.516 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.92 -32.04 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 108.256 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 9.9 t30 -91.58 -1.65 57.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 21.1 t-20 -95.89 -38.79 10.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -63.69 -23.0 67.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.8 75.14 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.5 -156.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.2 m -126.44 147.75 49.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 108.347 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.4 t80 -113.64 173.46 6.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.548 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.8 t70 -178.65 142.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.602 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.6 p -132.34 14.73 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -60.35 -49.63 76.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.625 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.28 133.65 14.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.456 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.39 -44.15 2.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.15 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.89 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -88.28 170.8 10.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 91.62 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.602 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.43 -52.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.475 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 5.5 t -93.03 127.06 38.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.809 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -148.88 163.88 36.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.8 mtpt -66.78 165.0 28.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 123.03 7.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.791 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -35.85 129.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.562 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -62.04 77.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 1.6 pp20? -48.38 117.56 2.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -165.64 46.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 41.1 53.09 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.85 110.13 8.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 108.277 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 58' ' ' THR . 6.4 t -175.08 85.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.999 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -92.4 173.34 7.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 110.238 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.439 ' OH ' ' O ' ' A' ' 57' ' ' CYS . 3.8 p90 -133.3 153.54 51.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.597 HG23 ' N ' ' A' ' 5' ' ' GLY . 29.0 m -146.97 -134.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.597 ' N ' HG23 ' A' ' 4' ' ' VAL . . . -157.07 54.25 0.4 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -39.31 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 5' ' ' GLY . 3.0 p 169.72 -96.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.955 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -125.81 1.27 7.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -46.17 -25.03 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -94.24 -36.98 11.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -115.04 45.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.296 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.582 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -114.87 56.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.008 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -94.36 151.4 39.38 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.008 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.91 3.24 5.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.775 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 84.98 -27.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.69 6.62 33.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.493 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -130.38 20.27 5.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.793 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.93 133.27 39.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 20' ' ' ASP . 21.6 t -92.54 -3.48 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 19' ' ' VAL . 8.3 t0 50.53 101.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -24.68 61.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.95 93.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.4 m-85 -139.28 148.0 55.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -72.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -91.57 86.69 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.571 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.2 m -97.96 137.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.548 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.4 p -151.75 171.06 6.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 39.59 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.96 -45.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.0 OUTLIER -70.58 -42.69 70.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -66.88 -37.13 83.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.276 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -84.12 -4.33 58.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 25.5 t30 -98.5 -38.95 8.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -58.84 -27.61 65.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.22 72.84 0.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.4 -158.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.9 150.62 40.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.5 t80 -114.83 173.03 6.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 19.3 t70 179.5 141.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.604 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.9 p -131.35 17.09 4.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.949 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.409 ' HB3' HG13 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -58.83 -52.15 66.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.804 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 135.07 13.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -37.7 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.93 -30.28 0.66 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.804 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -102.92 170.98 5.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 91.55 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.781 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.604 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -34.03 -53.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -94.3 109.18 21.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.793 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -129.03 162.86 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.2 mttt -64.41 163.53 25.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 118.92 5.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.785 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -35.08 130.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.56 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -61.5 79.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LEU . 5.3 pt-20 -46.79 119.98 2.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -159.05 -65.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -46.02 171.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.439 ' O ' ' OH ' ' A' ' 3' ' ' TYR . 1.2 m 67.53 65.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -94.69 -65.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.95 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -70.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 t80 178.67 158.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 5' ' ' GLY . 11.1 m -114.82 -154.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.43 ' N ' HG23 ' A' ' 4' ' ' VAL . . . 151.71 -20.88 0.9 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 7' ' ' SER . 0.2 OUTLIER -111.01 -100.07 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 109.281 -179.934 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' LEU . 3.1 p 37.65 -107.22 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.849 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -144.67 15.26 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -64.24 -52.46 58.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.407 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -63.58 -32.72 74.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 47.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.336 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.849 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -100.29 41.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.983 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.07 152.36 41.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.983 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 -58.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.023 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.25 -23.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.03 1.12 57.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.543 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -117.02 9.94 13.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.697 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.0 mmt85 -76.77 108.64 9.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' ASP . 70.4 t -75.45 -9.22 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 59.48 116.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -86.09 -21.35 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.56 92.21 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.579 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 13.7 m-85 -137.43 147.44 57.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -76.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -87.98 84.84 6.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.626 180.0 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.4 m -94.81 140.23 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.609 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.3 p -152.21 172.69 5.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 38.57 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.55 -55.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.3 tt0 -59.35 -45.04 92.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -63.66 -41.1 98.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -82.07 -2.29 51.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' LYS . 22.7 t-20 -100.97 -35.27 9.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -62.09 -25.17 67.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.964 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.73 71.02 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 170.35 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -122.75 152.76 40.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.7 t80 -116.04 173.73 6.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.6 t70 179.19 140.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.629 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.4 p -133.94 16.64 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -41.97 92.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.756 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.5 133.79 8.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.09 -33.83 4.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.23 -28.64 1.43 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.023 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.47 170.64 5.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 88.72 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.629 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.33 -56.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 107.995 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.408 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.9 t -92.08 111.94 23.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.697 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.9 p90 -132.46 165.18 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.48 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.1 mtpt -62.81 162.45 21.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.01 126.1 9.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.711 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -38.42 140.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.39 80.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 2.4 pt-20 -54.49 102.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.66 -53.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.51 -177.65 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.13 139.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' PHE . 7.1 m -130.79 -66.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' THR . 2.3 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.842 ' O ' HG22 ' A' ' 4' ' ' VAL . 12.9 tt0 -94.51 132.98 38.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -59.83 96.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.842 HG22 ' O ' ' A' ' 2' ' ' GLU . 1.7 m -135.98 150.02 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.68 89.83 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.681 ' H ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -90.22 153.1 20.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.637 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 5.1 p 66.22 49.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 167.66 -87.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.83 -24.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.6 mm100 -95.12 -30.55 13.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -113.44 42.64 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 108.298 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -110.03 46.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.88 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.1 148.35 47.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.88 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 0.84 8.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.571 1.827 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.026 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.92 -18.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.26 10.13 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.504 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -134.02 16.91 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.5 mmt85 -75.59 118.12 18.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.4 t -82.79 -8.33 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 56.77 109.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -19.32 56.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.93 92.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.9 m-85 -140.37 147.44 49.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -75.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.462 1.769 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.461 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -87.14 83.86 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.641 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.584 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.5 m -95.26 135.29 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.549 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -149.83 171.47 6.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.91 39.28 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.28 -45.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.498 ' HB3' HG23 ' A' ' 27' ' ' THR . 3.7 tt0 -71.8 -40.59 69.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.58 -32.47 69.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.247 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -90.41 -1.75 57.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.9 t-20 -98.8 -41.33 7.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -29.06 64.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.92 74.85 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.17 -159.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.5 m -119.9 152.28 37.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 108.317 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.8 t80 -118.35 173.45 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.0 t70 -178.5 145.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.633 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.1 p -135.66 13.43 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -51.34 69.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.572 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.32 135.45 14.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -36.2 2.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.12 -42.44 1.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.026 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.89 170.49 8.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 109.339 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.559 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 91.46 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.797 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.633 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.42 -56.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 107.955 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -89.6 119.35 29.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.7 p90 -142.27 163.75 32.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.4 mtpt -67.22 164.23 38.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.02 124.26 8.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.766 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.2 tt -35.25 132.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.75 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -61.82 79.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 1.5 pp20? -47.28 119.64 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.72 94.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.39 -55.25 7.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -126.84 -58.52 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 108.314 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.6 p -123.16 174.23 7.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.74 178.48 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -167.38 176.17 6.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.4 p -152.02 120.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' NE2' ' A' ' 10' ' ' GLN . . . -162.42 26.45 0.24 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -110.71 177.97 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.693 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 33.5 p -46.21 165.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 83.74 -73.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 12' ' ' ALA . 10.8 t30 -52.98 -76.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 51' ' ' PRO . 1.7 pt20 -47.73 -24.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.17 42.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 108.251 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -114.01 50.98 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.947 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.76 150.06 43.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.947 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 1.27 7.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.031 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.83 -27.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.07 10.18 20.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.529 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -133.57 19.02 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.818 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -75.66 140.43 42.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 19' ' ' VAL . 88.4 t -99.76 4.2 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.0 t70 43.52 96.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -69.58 -24.58 63.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.28 -179.956 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.72 96.02 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 16.2 m-85 -139.7 146.87 49.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -79.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.548 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -86.52 84.81 7.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.643 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.578 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.8 m -94.03 141.24 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.6 p -152.7 172.86 5.08 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.383 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 37.77 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.46 -55.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.2 tp10 -59.01 -45.44 90.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.533 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -63.15 -42.18 99.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 108.296 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -80.1 -3.76 50.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' LYS . 21.4 t-20 -100.1 -35.07 9.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 3.1 tpt85 -61.36 -25.43 67.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.3 69.63 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 170.73 -155.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -123.64 152.75 41.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.6 t80 -115.33 174.47 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 24.7 t70 178.15 140.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -130.44 15.2 5.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -49.33 77.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.566 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.32 135.52 11.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -36.49 2.5 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.55 -41.66 1.74 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.031 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -93.64 171.67 6.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -33.71 -51.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.419 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.9 t -95.39 110.1 22.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.818 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.0 p90 -130.6 165.06 23.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.7 mtpt -71.33 165.11 51.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -74.98 119.31 5.6 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.791 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.5 tt -34.18 134.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.791 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -61.79 80.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.5 pt-20 -49.54 114.92 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.31 167.16 30.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.83 -52.45 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.1 m -99.31 136.53 39.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 108.332 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' PHE . 70.6 p -95.74 170.33 9.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' THR . 1.4 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -150.49 143.61 24.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.626 ' C ' HG23 ' A' ' 4' ' ' VAL . 43.3 t80 -177.91 170.56 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.626 HG23 ' C ' ' A' ' 3' ' ' TYR . 3.1 t 81.09 69.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.56 -19.82 0.8 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.5 163.07 14.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.333 179.934 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 p 54.22 -175.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.515 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -90.8 39.1 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -53.97 -58.55 6.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -62.04 -24.86 67.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 46.37 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.345 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -111.75 46.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.864 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.93 147.83 41.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.864 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 1.37 7.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.03 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.17 -19.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.47 10.65 31.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.522 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.03 16.28 3.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.669 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.2 mmt85 -76.64 112.25 13.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' ASP . 91.6 t -77.9 -4.89 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.5 t70 58.35 115.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.69 -24.07 27.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.329 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.09 99.57 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 17.9 m-85 -145.9 147.19 31.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -77.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.428 ' O ' ' ND1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -85.46 83.01 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.587 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 28.6 m -94.37 138.06 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.48 ' CG2' ' C ' ' A' ' 26' ' ' VAL . 4.3 p -152.36 169.36 9.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.638 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.73 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 27' ' ' THR . 7.8 tmtt? -178.04 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.2 tt0 -78.28 -40.03 38.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -72.77 -27.29 61.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 108.333 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.76 4.01 52.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 7.4 t30 -104.04 -41.89 5.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.83 -35.7 69.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.75 74.74 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 168.65 -160.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.5 m -119.42 154.07 34.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 108.308 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.638 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.7 t80 -120.41 174.52 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 12.4 t70 -177.29 145.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.613 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.3 p -135.26 13.37 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.75 -51.55 69.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.606 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 136.4 14.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.0 -36.52 2.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.51 -45.69 1.95 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.03 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.47 169.89 12.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 90.36 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.613 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -29.44 -57.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 107.998 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.409 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.4 t -89.94 116.67 28.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -138.58 164.82 28.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.3 mttt -66.26 163.41 39.37 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.01 120.65 6.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.765 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.2 tt -33.3 131.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.746 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -67.22 68.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.3 pt-20 -43.43 115.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.38 -60.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.26 131.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 p -53.36 -61.37 2.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.315 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.672 HG23 ' N ' ' A' ' 59' ' ' PHE . 0.7 OUTLIER 44.98 -168.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.444 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.672 ' N ' HG23 ' A' ' 58' ' ' THR . 39.1 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.82 167.6 21.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -83.64 -178.08 6.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.633 HG23 ' H ' ' A' ' 6' ' ' LEU . 27.7 m -136.86 -134.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.615 ' N ' HG23 ' A' ' 4' ' ' VAL . . . -160.97 29.76 0.32 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.633 ' H ' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -38.11 -64.89 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.683 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 97.8 p -131.1 157.8 42.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 83.04 -70.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -52.63 -38.55 60.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -31.02 52.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.8 47.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.28 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.32 49.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.9 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.06 149.23 47.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.9 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 1.53 7.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.799 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.012 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.53 -21.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.62 10.8 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.521 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.68 16.98 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.676 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.2 mmt85 -75.88 116.63 16.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 87.7 t -81.58 -9.58 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.5 t70 58.21 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.77 -18.18 51.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.315 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.07 89.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.3 m-85 -139.24 147.5 53.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -70.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.499 1.789 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.584 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -91.76 86.32 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.944 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.2 m -98.52 131.12 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.58 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.6 p -144.62 172.68 5.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 39.72 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.25 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.584 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.6 tt0 -68.04 -40.9 82.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -67.46 -40.1 85.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 108.303 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 4.5 t30 -81.76 -6.77 59.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 29.0 t30 -94.7 -38.24 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.607 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.71 -26.46 65.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.01 72.24 0.31 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 171.04 -157.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.512 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -120.76 152.81 37.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.632 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.7 t80 -117.19 173.21 6.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.2 t70 -178.82 141.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.0 p -131.67 16.03 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.59 -51.43 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.578 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.25 136.38 13.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.03 -37.0 2.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.32 -41.49 1.09 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.012 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.46 170.18 8.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.555 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 91.78 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.8 m0 -30.65 -56.17 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 t -90.78 116.93 29.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.237 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.676 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -138.74 167.22 22.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -67.52 163.14 50.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.0 121.83 6.82 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.523 1.801 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.793 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -35.46 136.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.751 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -59.51 84.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -68.32 78.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.59 115.98 30.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -51.55 -59.34 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.4 m -103.02 140.04 37.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 59' ' ' PHE . 3.8 t -48.62 -50.16 33.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.433 ' N ' HG23 ' A' ' 58' ' ' THR . 1.1 m-85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.407 ' HA ' ' OE1' ' A' ' 1' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.09 -170.7 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.543 ' C ' HG23 ' A' ' 4' ' ' VAL . 2.7 t80 -159.36 -173.48 4.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.543 HG23 ' C ' ' A' ' 3' ' ' TYR . 3.4 t 77.6 69.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.484 ' HA2' ' CB ' ' A' ' 9' ' ' ASN . . . -133.59 17.37 4.46 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' SER . 0.6 OUTLIER -100.47 122.09 42.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 3.8 p 61.18 128.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 85.32 -74.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.484 ' CB ' ' HA2' ' A' ' 5' ' ' GLY . 2.3 m120 -52.23 -62.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -55.98 -27.42 52.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -115.6 48.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 108.285 -179.939 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -116.85 50.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.912 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.01 149.62 39.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.912 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.487 1.782 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.014 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.14 -25.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -89.31 8.49 30.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.83 21.49 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.813 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.9 mmt180 -75.78 132.91 40.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 1.9 t -90.48 -8.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.482 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.8 t0 53.96 104.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -10.31 59.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 108.273 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.53 79.04 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.621 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -145.81 146.16 27.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -77.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.68 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -67.97 97.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.575 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.7 m -126.23 124.6 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.571 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -139.54 174.34 4.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.07 38.97 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -176.97 -46.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.2 OUTLIER -69.75 -38.89 76.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -73.14 -26.64 61.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -97.11 5.01 51.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 40.4 t-20 -101.82 -40.59 6.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.621 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -60.45 -26.84 67.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 179.952 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.47 72.67 0.42 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.92 -155.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.475 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -125.81 149.36 48.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 108.298 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 76.9 t80 -117.27 174.09 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 18.0 t70 -178.64 146.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.61 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.9 p -137.08 13.71 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -48.66 80.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.559 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.92 134.73 13.06 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.445 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -36.7 2.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.74 -47.93 2.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.014 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -85.78 171.09 11.22 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 93.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.61 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.1 m0 -32.79 -54.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.8 t -93.61 112.23 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.316 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.813 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -132.54 165.22 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.485 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -68.02 163.89 46.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.485 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.02 122.88 7.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.049 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.791 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.8 tt -34.91 136.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.726 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.4 mp0 -63.03 78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 7.3 pt-20 -49.53 115.3 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.85 87.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -65.17 114.44 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.89 -63.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.298 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.8 t -138.82 140.25 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.444 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.981 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -95.6 -79.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -155.43 179.63 8.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 4' ' ' VAL . 3.3 p -168.01 106.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -74.84 -109.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.1 pp 35.5 65.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.1 p -180.0 -35.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.046 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.866 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -154.99 -47.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.35 -65.19 0.67 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 5.4 tt0 -60.39 -23.38 64.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 49.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.336 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.866 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.34 57.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.93 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -97.86 149.56 35.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.93 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 -0.0 9.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.024 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.13 -25.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.88 6.2 40.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.741 ' HB3' HG12 ' A' ' 13' ' ' VAL . 7.0 t0 -131.3 21.83 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.43 132.51 39.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -92.83 -9.07 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.9 t0 55.39 107.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.19 -21.23 58.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 108.278 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.52 90.64 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 6.6 m-85 -139.53 147.71 53.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -70.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.643 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -91.5 85.21 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.619 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.8 m -97.67 132.03 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.551 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.2 p -146.73 171.43 6.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.614 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.77 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.0 tmtt? -176.96 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.643 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.5 tt0 -75.55 -37.13 60.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -74.58 -30.13 61.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.271 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.422 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -89.26 -3.83 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 29.6 t30 -100.56 -40.97 7.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.608 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.27 -29.18 57.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.96 73.73 0.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.86 -159.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.472 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -119.01 152.14 36.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.312 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.2 t80 -116.33 173.06 6.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.7 t70 -179.47 142.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.625 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.9 p -132.17 14.94 4.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -51.29 70.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.589 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 137.1 14.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.05 -38.19 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.16 -43.27 1.37 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.024 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -91.52 169.43 11.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.552 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 91.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.769 . . . . 0.0 111.002 -179.935 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.87 -53.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -93.78 112.8 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.7 p90 -132.88 165.25 25.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.3 mttt -66.38 164.82 27.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.98 122.05 6.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.698 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -31.23 139.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -63.61 76.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' N ' HD23 ' A' ' 52' ' ' LEU . 2.6 pm0 -40.01 121.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 57' ' ' CYS . . . -133.64 56.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 66.11 -73.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.1 t 57.4 59.84 3.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 108.255 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.9 p -137.43 -58.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.435 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 111.027 179.946 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 3' ' ' TYR . 10.2 pt-20 -123.54 -170.48 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' A' ' 4' ' ' VAL . 1.2 t80 58.4 132.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.95 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 10.8 m -104.21 -148.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.537 ' N ' HG23 ' A' ' 4' ' ' VAL . . . 137.99 -12.83 3.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.822 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -73.98 -4.2 33.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 5.5 p -170.5 73.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 168.8 -81.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -36.63 3.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.49 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.4 tt0 -78.25 -34.45 49.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -114.29 47.63 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 108.345 179.959 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -101.51 42.57 1.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.982 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.68 152.1 41.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.982 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.05 -60.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.086 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 162.93 -22.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.226 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.26 0.78 57.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.547 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -117.03 10.09 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.737 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.3 mmt85 -77.36 116.66 18.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' ASP . 17.7 t -83.3 -5.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.3 t0 57.14 114.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -22.25 26.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.66 95.73 0.05 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 14.7 m-85 -143.59 143.8 25.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.788 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.95 -71.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.43 1.753 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.87 83.66 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 109.581 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.58 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.2 m -97.07 139.25 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.659 ' HG1' ' H ' ' A' ' 30' ' ' GLU . 11.0 p -149.48 169.28 9.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 35.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -174.97 -47.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.659 ' H ' ' HG1' ' A' ' 27' ' ' THR . 0.4 OUTLIER -69.42 -31.86 70.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.652 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -79.45 -29.16 41.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.973 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.478 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.1 m-80 -94.42 0.64 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 39.5 t30 -103.43 -40.51 6.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -28.34 63.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 124.15 74.68 0.26 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 168.94 -158.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -122.75 154.09 38.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.326 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.9 t80 -119.55 175.63 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.1 t70 177.43 142.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.669 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.6 p -139.53 18.37 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -32.56 71.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.56 HD13 ' CG2' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -152.85 125.68 4.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.488 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -34.17 4.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.771 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.51 -30.03 1.31 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.086 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -104.47 173.37 3.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.506 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.2 Cg_endo -75.0 92.48 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.669 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -34.48 -56.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.016 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.442 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.3 t -91.85 109.6 20.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.737 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.1 p90 -130.35 164.14 25.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -60.78 162.38 12.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.49 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.96 122.44 7.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.735 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -35.63 132.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -64.87 75.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.568 ' N ' HD23 ' A' ' 52' ' ' LEU . 5.9 pt-20 -46.13 118.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.39 106.74 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.0 139.61 33.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 -179.947 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 117.7 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.9 p -81.33 170.22 16.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.7 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.951 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 2' ' ' GLU . 2.6 mt-10 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 3.2 mt-10 167.0 64.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -173.22 103.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.76 -171.96 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.475 ' O ' ' NE2' ' A' ' 10' ' ' GLN . . . 147.7 -84.4 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 111.041 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.796 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.96 129.52 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.782 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.656 ' N ' HE22 ' A' ' 10' ' ' GLN . 44.8 p 61.25 138.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.959 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . 40.07 -160.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 7' ' ' SER . 14.6 m-80 66.67 -61.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.656 HE22 ' N ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -78.58 -33.82 47.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 -179.967 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -117.18 42.78 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB2' ' H ' ' A' ' 9' ' ' ASN . . . -100.76 38.36 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.971 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -91.58 152.01 43.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.971 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.03 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 159.88 -22.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 4.16 54.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.541 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -121.31 10.32 10.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.741 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.1 mmt85 -76.17 122.86 24.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.1 t -88.52 -8.74 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.7 t0 58.55 115.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.42 -25.63 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.93 90.17 0.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.4 m-85 -137.67 148.55 61.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -75.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -89.14 84.91 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 31.5 m -95.65 139.39 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.635 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.6 p -151.57 173.52 4.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.617 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 37.44 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.61 -54.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.96 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HB3' HG23 ' A' ' 27' ' ' THR . 4.1 tt0 -61.83 -33.73 74.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.635 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.33 -37.11 53.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.312 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.463 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -83.58 -5.36 59.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' LYS . 54.9 t-20 -100.59 -37.42 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.538 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 5.0 tpt85 -57.74 -26.1 61.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.35 71.77 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 168.17 -157.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.88 154.29 36.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 108.308 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.617 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.6 t80 -118.27 174.97 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.2 t70 178.32 140.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.634 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.4 p -136.04 18.29 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.049 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -34.82 79.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.514 ' CD1' HG22 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -154.66 131.11 5.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 -33.94 4.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.17 -38.18 2.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.03 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.05 172.09 5.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -75.01 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.634 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -33.44 -54.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.018 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.4 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.9 t -94.16 112.65 24.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 179.974 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.741 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.5 p90 -133.14 165.09 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -63.63 162.79 24.69 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 120.45 6.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.788 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.739 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -37.44 138.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.942 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.11 79.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.5 pt-20 -52.97 108.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -145.97 -59.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -92.3 164.25 13.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 m 63.39 110.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 108.325 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.1 m 63.76 114.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 110.406 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.424 ' O ' ' CG ' ' A' ' 59' ' ' PHE . 75.1 t80 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -158.75 -48.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.554 ' CD2' ' O ' ' A' ' 3' ' ' TYR . 30.9 t80 -148.13 93.93 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.33 94.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.62 3.26 6.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.87 48.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 0.737 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.9 p -156.48 -170.27 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.637 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -76.82 -21.08 55.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' ALA . 4.3 t-20 -38.81 -29.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -87.99 -46.71 9.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.3 m -111.5 47.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.637 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -113.81 51.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.24 150.31 42.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.91 1.43 7.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.003 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.87 -27.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 -179.918 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.38 8.23 28.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.51 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.04 20.53 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.8 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -76.05 127.52 33.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.9 t -88.3 -3.43 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 39.78 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -15.86 63.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.99 100.9 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 17.5 m-85 -139.19 146.36 48.78 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.75 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -84.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.523 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -81.21 82.66 7.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.3 m -91.28 136.37 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.3 p -150.55 169.44 9.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.621 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.58 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.486 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.55 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.517 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.2 tt0 -79.53 -37.05 37.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.41 -28.04 60.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 108.277 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.9 m-80 -91.36 -3.29 56.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.9 t-20 -100.68 -42.73 6.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.593 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.46 -24.61 20.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.69 73.82 0.51 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 172.56 -155.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.975 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.7 m -124.91 149.61 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.621 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -115.88 173.69 6.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 18.6 t70 -178.01 143.56 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.615 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.8 p -134.85 13.73 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -47.06 87.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.551 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.65 133.91 12.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 -37.02 2.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.54 -47.07 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.003 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.26 170.81 11.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 92.69 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.615 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -31.84 -52.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.979 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.475 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.0 t -93.66 127.07 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 108.303 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.8 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -149.25 164.11 35.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -65.47 163.5 32.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.02 122.16 7.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.546 1.814 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.781 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -35.59 133.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.621 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -60.1 81.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.961 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 1.5 pp20? -53.53 107.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.0 134.4 45.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -53.0 -62.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -160.44 -64.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 108.281 -179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -162.96 151.93 14.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 29.1 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.94 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.37 90.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -126.83 174.77 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 6' ' ' LEU . 8.6 p -164.3 -137.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.77 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -151.33 30.22 0.96 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.092 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.791 ' H ' HG13 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -39.71 96.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 5' ' ' GLY . 2.4 p 165.13 -96.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -108.46 -26.4 10.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.527 ' CB ' ' HA3' ' A' ' 5' ' ' GLY . 10.5 t30 -38.68 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' N ' ' C ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -85.73 -48.45 8.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.336 179.973 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -107.16 44.18 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 108.27 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.621 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -99.79 40.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.976 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -90.71 152.51 44.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.976 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.05 -57.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.092 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 158.7 -21.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -1.5 54.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -115.13 11.14 16.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.723 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -76.31 115.49 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' ASP . 10.2 t -81.54 -10.56 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.9 t0 59.51 116.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.35 -27.18 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.252 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.88 90.27 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.937 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.2 m-85 -137.51 148.01 59.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.44 0.729 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -76.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -85.99 82.2 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.648 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.584 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.8 m -93.27 137.45 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.1 p -151.22 168.9 10.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.63 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.0 Cg_endo -75.09 39.91 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -178.34 -39.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.2 tp10 -78.63 -39.89 35.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.71 -33.71 71.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 -179.998 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -87.36 -3.1 59.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.1 t30 -100.19 -41.49 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.6 -25.58 39.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.34 73.59 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.68 -157.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.971 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -121.41 151.69 39.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 76.0 t80 -117.12 173.28 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.4 t70 -179.97 144.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.631 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.5 p -137.26 14.48 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.9 -39.05 80.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.618 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -154.04 134.61 8.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -36.7 2.41 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.21 -36.47 0.91 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.092 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.95 170.79 6.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 90.84 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.631 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -31.75 -55.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.61 111.33 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.32 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.723 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -131.92 164.8 25.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.9 mtpt -62.53 162.86 17.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.96 124.88 8.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.056 179.949 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.801 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -37.53 128.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.662 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -66.45 62.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.739 ' N ' HD23 ' A' ' 52' ' ' LEU . 6.2 pt-20 -48.17 97.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.44 -67.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.51 78.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.1 m 64.8 159.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.297 -179.989 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.7 m -82.71 -60.49 2.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.371 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.2 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.049 -179.977 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 60.75 111.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -132.97 151.76 52.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.3 t -145.54 90.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.16 18.2 1.06 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.5 138.43 45.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.631 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 88.8 p -51.02 105.09 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 167.13 -70.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -62.46 -51.74 66.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 52' ' ' LEU . 11.5 pt20 -67.22 -26.82 66.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -107.86 40.6 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.307 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.13 55.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.98 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.91 150.63 38.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.98 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -0.91 10.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.052 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.28 -25.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -89.0 8.08 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.729 ' HB3' HG12 ' A' ' 13' ' ' VAL . 9.3 t0 -134.14 22.39 3.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.818 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -75.73 140.72 42.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.7 t -97.48 -2.4 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.462 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 46.9 97.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -22.23 64.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.91 93.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.9 m-85 -139.59 148.99 58.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -74.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.811 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.602 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -89.59 86.12 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.0 m -97.3 132.96 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.55 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.6 p -146.41 171.64 6.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 40.12 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.92 -48.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.602 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 2.9 tt0 -68.62 -42.73 77.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -66.53 -35.14 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 108.278 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.448 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -87.85 -1.8 58.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.9 t-20 -98.94 -38.95 8.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -60.45 -28.83 68.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.98 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.96 74.69 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.81 -159.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -121.22 151.13 40.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 108.304 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.0 t80 -115.52 173.86 6.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.558 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.5 t70 179.33 143.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.624 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.5 p -134.0 14.83 3.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -47.39 85.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.319 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.505 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.22 133.48 10.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -37.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.64 -39.6 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.052 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -95.09 171.83 6.12 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.95 92.93 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.453 1.765 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -33.46 -51.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.96 110.76 22.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 108.3 -179.975 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.818 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.0 p90 -131.27 163.11 28.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -68.24 164.24 44.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.939 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.93 118.18 5.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.821 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.751 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.6 tt -32.11 125.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.662 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -69.35 56.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.582 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -36.99 119.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.964 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -160.29 150.19 17.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.7 -62.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -178.23 114.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 179.962 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.9 p -59.51 132.33 53.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -162.26 61.05 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.408 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -179.57 -147.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.963 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 3' ' ' TYR . 12.5 t 74.33 46.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 179.938 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.29 16.02 1.68 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -99.6 159.89 14.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 0.725 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.697 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 88.0 p -46.93 172.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 84.22 -72.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -59.44 -55.04 39.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' NE2' ' SG ' ' A' ' 37' ' ' CYS . 3.0 pt20 -62.4 -26.45 68.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.63 45.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.245 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -115.18 48.22 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.92 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.47 149.96 45.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.92 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 2.96 6.03 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.842 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.41 -27.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.85 9.83 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.17 20.05 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.814 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.1 mmt180 -76.63 131.75 39.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ASP . 46.9 t -88.58 -5.34 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t0 52.38 102.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -9.04 56.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 108.321 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.83 80.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.604 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -147.83 143.76 18.21 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.545 0.791 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.01 -80.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -62.41 94.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.968 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 26.7 m -127.0 124.99 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.58 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 0.7 OUTLIER -139.32 174.58 3.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.984 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.626 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.92 37.16 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.4 -44.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -72.24 -32.64 66.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -80.57 -27.08 37.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 179.999 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.517 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.6 m-80 -94.9 1.67 55.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.9 t-20 -101.9 -40.92 6.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.604 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.07 -23.94 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 179.996 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.96 75.74 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.08 -154.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.548 ' SG ' ' NE2' ' A' ' 10' ' ' GLN . 12.0 m -127.21 149.16 50.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 -179.992 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.626 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.6 t80 -116.67 174.47 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.3 t70 179.12 144.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.624 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -135.67 15.83 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.33 -47.92 80.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.64 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.49 132.83 13.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.952 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 -37.87 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.37 -42.66 2.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.842 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -89.1 171.04 9.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.495 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.99 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.0 m0 -34.44 -53.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.03 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.9 t -94.82 112.13 23.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.322 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.814 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.7 p90 -131.65 168.88 16.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.514 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.3 mtpt -73.31 164.76 58.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.93 123.82 8.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.456 1.766 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.785 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.9 tt -34.34 134.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.753 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.3 mp0 -64.17 76.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 8.4 pt-20 -45.16 119.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -165.32 -62.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.62 175.94 5.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.1 m -104.81 90.1 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 108.295 -179.965 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.4 t -53.15 168.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -175.21 168.99 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -103.24 154.88 18.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.2 p -166.26 47.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.81 109.5 2.9 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.4 pp -114.17 45.39 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.689 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 87.9 p -169.8 111.95 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.961 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.762 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 84.01 -68.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -54.86 -46.84 74.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.158 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.86 -32.32 70.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.83 46.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.762 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -116.7 52.81 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.01 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.02 151.46 45.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.01 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.05 1.37 7.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.018 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.87 -27.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 8.57 25.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.509 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -132.15 19.72 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.817 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.0 139.99 41.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 19' ' ' VAL . 59.0 t -99.9 -1.72 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.3 t0 47.68 98.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -24.94 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.53 92.98 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.115 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.0 m-85 -138.75 149.67 62.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -76.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -88.81 84.75 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.618 179.995 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.9 m -94.64 128.96 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.52 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 7.3 p -142.0 169.26 11.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.96 38.97 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -176.57 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.432 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tp10 -78.75 -38.8 37.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -71.49 -31.52 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.46 HD22 ' N ' ' A' ' 29' ' ' LYS . 2.3 m-80 -87.3 -6.61 58.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.7 t-20 -99.7 -40.81 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.554 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 5.2 tpt180 -54.79 -27.08 38.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.82 73.23 0.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 168.38 -159.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.996 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.4 m -119.54 151.36 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.4 t80 -115.8 173.57 6.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.8 t70 179.91 143.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.608 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.6 p -133.68 15.22 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -58.83 -48.6 80.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.533 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.82 134.87 11.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.444 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 -37.46 2.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.23 -41.84 1.57 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.018 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.72 171.59 7.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.02 93.24 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.449 1.762 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.608 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -33.68 -52.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.013 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -95.09 110.59 22.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.288 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.817 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -130.79 163.28 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.9 mtpt -66.37 164.4 31.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 117.07 4.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.436 1.756 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.818 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.4 tt -32.22 129.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.604 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -57.63 85.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.951 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -75.95 56.46 0.98 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 -179.974 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 56' ' ' GLU . . . -101.13 66.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ALA . 1.5 mt-10 38.7 60.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 78.3 -66.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 108.27 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' PHE . 13.5 t -166.8 142.32 4.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.82 -177.7 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.486 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 4.5 p90 -170.39 99.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 4' ' ' VAL . 32.2 t 69.07 24.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.32 11.2 3.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.62 -34.33 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.644 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 23.0 p 53.0 99.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 167.42 -82.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.08 -44.07 51.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -73.04 -31.47 64.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.3 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -111.18 44.56 1.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -115.92 56.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.993 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -97.12 151.13 37.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.993 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 2.96 6.05 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.746 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.09 -26.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.92 7.69 29.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -132.36 21.23 4.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.787 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -76.55 135.62 39.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.957 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.8 t -93.54 -3.73 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.3 t70 49.2 98.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.6 -28.72 66.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 179.96 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.55 91.4 0.11 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.575 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.0 m-85 -137.09 148.14 61.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -75.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -89.08 84.79 6.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.986 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.575 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.8 m -94.98 139.24 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.632 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.7 p -152.5 173.17 4.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.507 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 37.72 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' N ' HD22 ' A' ' 32' ' ' ASN . 1.7 tmmm? -177.13 -53.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB3' HG23 ' A' ' 27' ' ' THR . 4.4 tt0 -62.84 -34.86 78.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.632 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -76.74 -36.1 57.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.983 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.53 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.1 m-80 -87.86 1.32 54.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' LYS . 19.8 t-20 -104.15 -37.53 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -28.73 68.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.24 -179.952 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 124.82 73.52 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.13 -158.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.964 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 m -121.15 153.11 37.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 77.4 t80 -116.63 174.7 5.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 12.9 t70 176.72 141.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.635 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.7 p -134.48 18.19 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -62.96 -44.55 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.999 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.721 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.36 131.07 9.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.0 -38.03 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.557 1.82 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.63 -28.09 0.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.445 1.09 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.746 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.71 171.27 5.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.33 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.797 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.635 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -34.96 -53.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.019 -179.989 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -94.18 109.03 20.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 108.297 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.787 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.5 p90 -128.96 163.46 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -65.61 162.69 40.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.98 117.45 4.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.747 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.6 tt -33.2 130.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.954 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.721 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -69.98 57.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.943 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.597 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -41.18 102.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.329 179.982 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.07 -42.6 3.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.38 152.59 26.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.6 m -44.44 137.75 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.293 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 t -46.41 141.88 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 -179.993 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.5 p90 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 -179.996 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.46 178.8 7.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -116.99 172.19 7.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 p -173.45 144.62 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.0 10.14 3.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.7 -37.38 8.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 109.236 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -95.56 114.54 26.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.987 -179.952 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . 39.09 -157.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.492 ' H ' ' HB2' ' A' ' 12' ' ' ALA . 1.6 m-20 62.22 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -64.07 -38.44 91.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.336 179.986 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.7 45.52 1.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.31 -179.978 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.492 ' HB2' ' H ' ' A' ' 9' ' ' ASN . . . -114.46 53.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.995 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.95 151.4 41.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.995 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 1.18 8.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.015 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.79 -27.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.93 5.85 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -129.58 20.55 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.802 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -76.47 133.31 39.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.56 -8.04 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.462 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 54.63 105.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -11.71 60.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 108.253 -179.956 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.5 80.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.137 . . . . 0.0 111.045 -179.951 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.682 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -146.36 146.4 27.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 0.0 111.008 -179.963 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.483 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.0 -87.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.427 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -56.61 85.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 -179.947 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.534 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.1 m -115.12 120.75 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -138.93 173.13 5.52 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 35.3 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -172.79 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.88 -36.07 56.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.525 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.61 -25.2 49.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.466 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.2 m120 -96.36 -0.1 49.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 11.6 t30 -97.89 -45.73 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.682 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -53.56 -35.2 60.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.23 71.96 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.8 -157.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.8 m -122.75 148.45 45.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.271 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.8 t80 -116.74 174.36 6.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.2 t70 -179.83 146.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.622 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.3 p -138.57 13.62 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -60.4 -45.92 91.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.235 -179.98 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.554 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -144.77 134.33 11.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.453 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -36.47 2.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.528 1.804 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.49 -46.78 2.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.015 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.84 170.9 11.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 92.65 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.813 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.622 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -32.24 -54.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.2 t -93.55 112.74 24.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.325 179.961 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.802 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -132.37 166.28 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.522 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.2 mttt -68.63 164.72 42.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.07 122.37 7.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.445 1.761 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.768 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -33.21 135.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.572 ' N ' HD23 ' A' ' 52' ' ' LEU . 3.1 mp0 -62.43 78.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -44.61 121.36 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.997 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.29 79.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.62 57.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.8 m -124.7 173.39 8.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 108.323 179.979 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.0 t -41.37 135.4 2.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 110.397 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -179.55 67.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -88.79 -179.67 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.778 HG13 ' N ' ' A' ' 5' ' ' GLY . 4.3 p -169.25 -143.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.778 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -144.76 32.98 1.68 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.765 ' H ' HG13 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -38.24 99.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 10.3 p 65.58 150.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 84.36 -74.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -55.67 -68.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.5 pt20 -52.55 -23.31 6.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.88 45.39 1.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 108.297 179.95 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -114.8 52.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.81 150.12 38.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.045 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.14 -28.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.48 10.32 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.513 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -133.66 19.22 3.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.823 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.41 134.88 39.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 48.4 t -94.79 -4.63 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 52.85 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -23.32 56.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.302 179.967 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.23 94.16 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 m-85 -139.02 147.9 55.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -76.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.506 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -88.36 83.84 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 -179.998 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.1 m -93.42 138.16 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.626 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.0 p -152.54 172.87 5.05 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.511 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.03 38.43 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.48 -52.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.477 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.9 tt0 -64.14 -34.58 78.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.626 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.76 -31.39 51.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 108.263 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.556 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.4 m-80 -92.22 0.87 57.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' LYS . 34.7 t30 -102.75 -40.35 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -28.25 63.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.07 73.85 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.095 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.96 -157.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.971 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.4 m -123.42 152.67 41.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.552 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 79.5 t80 -117.44 174.3 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.4 t70 177.92 140.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.622 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.9 p -132.26 15.7 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 -179.928 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -59.49 -48.51 81.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.96 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.567 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.0 135.84 12.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.99 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -37.56 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.555 1.819 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.63 -44.35 1.78 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.045 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -90.43 170.48 10.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 92.97 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.622 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -32.31 -53.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 t -94.28 110.8 22.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.823 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -130.64 162.94 28.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 26.3 mtpt -66.8 165.15 27.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.05 120.13 5.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.429 1.752 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.781 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.3 tt -33.2 139.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.781 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.5 mp0 -64.53 75.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -43.21 122.33 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.988 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.43 -68.36 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -93.24 163.43 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -57.45 12.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.5 p -89.14 -56.19 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.55 113.65 22.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.39 170.29 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 4' ' ' VAL . 8.9 p -173.51 34.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -123.75 116.04 2.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 37.07 63.5 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.2 p -174.61 121.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 64.14 -84.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -45.86 -27.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.64 -34.29 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.8 m -114.86 46.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.259 179.973 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -115.02 54.95 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.998 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.51 151.35 40.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.961 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.998 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.97 2.36 6.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.946 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.03 -27.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.02 5.33 41.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -129.08 20.51 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.803 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -76.34 136.14 39.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.8 t -93.29 -5.45 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.9 t0 52.5 102.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.941 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -10.9 60.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.303 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.66 77.08 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -143.43 145.94 33.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 111.015 179.959 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -78.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.683 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -66.62 97.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.59 179.982 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.3 m -126.1 123.87 64.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.561 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -138.43 174.07 4.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.432 179.933 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.644 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 39.51 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.432 1.754 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.0 OUTLIER -178.05 -47.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.1 OUTLIER -69.18 -40.88 77.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -68.18 -28.37 67.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 108.331 -179.966 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 18.3 t30 -95.67 1.98 53.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -94.45 -39.31 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -63.88 -24.29 67.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.84 71.23 0.51 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.112 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.7 -154.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.2 m -127.81 148.09 50.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.4 t80 -115.57 174.15 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.9 t70 -179.67 145.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.2 p -134.44 13.27 3.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 ttt85 -58.85 -53.71 55.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.641 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -138.64 135.79 18.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -37.32 2.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.41 1.742 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.72 -47.94 3.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.946 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -84.53 170.77 12.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 93.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.562 1.822 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.0 m0 -34.46 -53.35 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 7.2 t -95.08 109.3 21.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 108.315 179.998 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.803 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -128.51 165.46 20.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -67.34 163.56 45.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.486 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -74.99 118.87 5.42 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.786 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -34.3 130.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.567 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.1 85.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.524 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 2.1 pt-20 -62.25 83.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.949 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.91 82.68 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 177.39 -56.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.68 -65.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.2 m 63.08 145.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.396 179.986 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -88.74 -174.36 4.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 1.093 ' CE1' HD11 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -163.11 143.01 8.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.962 179.963 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.634 HG13 ' CD ' ' A' ' 10' ' ' GLN . 17.3 t -139.03 88.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 174.88 -32.95 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.093 HD11 ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -110.45 40.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 179.947 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.2 p -165.0 159.54 18.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -88.05 8.73 25.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -44.52 -35.81 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.634 ' CD ' HG13 ' A' ' 4' ' ' VAL . 1.6 mm100 -81.45 -33.57 31.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -114.53 47.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.985 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -111.72 48.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.872 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.94 148.58 39.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.872 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.95 0.19 9.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.003 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.37 -23.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 12.28 21.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.54 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -135.22 16.06 3.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.671 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.0 mmt85 -76.26 114.53 15.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.927 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 89.6 t -78.62 -7.92 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.449 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.3 t0 58.47 115.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.491 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -84.12 -19.1 34.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.998 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.16 91.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 15.0 m-85 -136.84 145.89 52.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 111.046 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -77.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.459 1.768 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -85.96 82.49 8.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.976 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.3 m -92.45 138.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.3 p -151.36 172.67 5.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.04 39.36 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -178.88 -55.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.485 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 1.1 tt0 -59.5 -45.88 90.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -61.68 -37.49 84.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.334 179.989 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 19.7 t-20 -89.2 1.53 55.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' LYS . 53.5 t-20 -98.75 -35.96 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -64.38 -28.61 69.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.82 71.41 0.18 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 172.83 -157.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.965 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -123.46 154.03 39.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.6 t80 -117.7 173.87 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.0 t70 -178.18 141.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.611 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.1 p -132.5 16.31 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -60.58 -49.78 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.569 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.44 135.73 12.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -36.82 2.33 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.468 1.773 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.46 -41.12 1.07 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.003 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.09 169.93 9.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.03 90.31 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.611 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.24 -57.13 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.409 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.7 t -89.97 117.68 28.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.671 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.4 p90 -139.87 165.51 27.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.2 mttt -67.17 163.21 47.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 123.56 7.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.769 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -34.77 131.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.542 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.43 73.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.262 -179.964 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' LEU . 6.2 pt-20 -41.6 123.64 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 57' ' ' CYS . . . -154.32 123.94 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -48.68 94.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' ALA . 8.5 t -176.64 -62.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.0 p -46.89 -31.84 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.4 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.995 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -54.55 173.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.992 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -140.48 152.12 45.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 5' ' ' GLY . 11.6 m -115.58 -155.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' N ' HG23 ' A' ' 4' ' ' VAL . . . 133.39 -6.73 4.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.441 ' CA ' ' OE1' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -125.4 48.07 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.331 -179.979 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.698 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 2.0 p 179.16 107.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.857 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 85.34 -47.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -68.41 -54.39 17.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 2.6 pt20 -64.2 -26.2 68.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.447 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -117.01 47.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.277 -179.997 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.857 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -110.35 45.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.855 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.14 146.64 43.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.855 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -0.36 9.87 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.082 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.41 -15.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.72 6.39 48.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.672 ' HB3' HG12 ' A' ' 13' ' ' VAL . 3.4 t70 -132.68 20.03 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.645 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.54 120.55 21.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 91.6 t -83.14 -11.0 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.4 t0 58.53 115.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.38 -19.87 45.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 108.246 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 66.99 90.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.5 m-85 -140.17 146.86 47.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -69.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -91.45 84.38 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 179.994 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.5 m -97.27 133.25 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.537 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -148.51 170.25 7.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.05 38.46 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -176.68 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.512 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.0 tt0 -80.49 -36.45 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.45 -31.79 60.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.252 -179.96 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.648 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.1 p30 -87.86 -3.1 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 24.0 t30 -100.97 -40.5 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.607 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.7 -28.69 57.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.27 73.64 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.5 -158.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.969 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.79 152.72 36.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.3 t80 -118.41 173.54 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.553 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.9 t70 -178.11 143.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.625 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.6 p -134.15 15.12 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -50.9 72.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.602 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.77 137.0 13.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.07 -37.05 2.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.95 -43.38 1.29 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.082 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.95 169.28 11.34 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 0.794 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 90.84 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.538 1.809 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.9 m0 -29.49 -55.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.2 118.81 30.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 108.286 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.645 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -140.93 168.16 20.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.5 mttt -71.43 164.07 60.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 125.72 9.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.787 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.706 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -33.75 142.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.99 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.531 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -65.47 70.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' LEU . 1.2 pp20? -42.18 121.22 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -173.58 -55.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.77 115.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -158.94 87.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 108.32 -179.989 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.2 m 59.93 78.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.87 137.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 179.959 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -175.09 103.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 111.005 179.933 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -169.98 51.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.24 113.77 3.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.73 27.15 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.641 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 25.5 p -147.59 123.41 10.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 79.93 -77.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -46.2 -32.23 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.7 tt0 -82.56 -35.4 27.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -114.38 47.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 -179.942 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -110.89 46.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.898 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.43 147.63 47.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.961 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.898 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.06 1.98 7.17 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.988 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.42 -17.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.26 9.34 40.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.517 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.13 18.38 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.659 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.1 mmt85 -75.29 119.99 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 20' ' ' ASP . 47.6 t -79.96 -9.41 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.499 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.7 t0 54.93 106.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -9.46 58.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 179.967 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.91 86.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.609 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -150.32 147.43 21.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.94 -80.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.677 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -66.57 97.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.53 -179.975 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.2 m -125.4 123.69 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.587 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -139.12 176.64 2.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.64 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.97 35.93 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -177.01 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 0.4 OUTLIER -68.43 -37.51 80.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.548 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -73.5 -27.44 61.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 20.9 t-20 -94.98 1.58 55.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -93.0 -39.52 11.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -63.03 -25.77 68.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.83 70.82 0.47 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.75 -154.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.965 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.0 m -125.86 150.18 48.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 108.304 179.988 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.64 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.3 t80 -117.81 173.86 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.568 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.8 t70 -175.72 147.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.603 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.0 p -137.48 11.88 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.984 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -59.74 -52.11 66.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.571 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.75 134.23 14.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.475 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -36.05 2.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.94 -46.12 2.26 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.988 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.14 171.25 10.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 90.4 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.603 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.2 m0 -30.33 -57.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 179.998 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.45 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.5 t -89.54 120.46 30.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.293 179.984 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.659 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.6 p90 -142.71 166.98 23.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 19.5 mtpt -70.52 165.93 40.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.93 128.14 11.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.437 1.756 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.723 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -36.4 137.13 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.82 80.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.8 pt-20 -44.82 121.94 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.29 112.52 4.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -42.73 136.62 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -125.21 105.8 9.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.4 m 62.66 -83.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 179.979 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.1 t80 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.982 . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -127.39 156.31 42.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.944 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -69.13 169.42 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.487 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.7 p -174.28 50.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.07 108.72 2.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' CA ' ' OE1' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -125.05 63.25 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.702 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 2.7 p 169.81 115.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.806 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 84.28 -61.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -56.19 -56.21 23.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 4.2 pt20 -63.23 -28.02 69.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.426 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 2.3 m -116.3 47.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 -179.949 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -117.32 51.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.963 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.69 150.75 41.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.963 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 2.96 6.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.883 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.83 -27.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.81 5.76 38.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.519 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -130.21 21.15 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.799 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -76.57 130.88 38.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' ASP . 4.3 t -87.53 -7.09 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t0 54.14 105.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -11.67 60.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.286 -179.975 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.15 76.29 0.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.159 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -143.34 144.88 29.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.985 -179.96 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -79.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.695 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -64.65 96.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.619 179.954 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.51 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.9 m -126.38 125.8 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.57 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.74 173.17 5.35 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 -179.966 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.644 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 39.94 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.01 -47.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.36 -40.44 74.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.4 -28.32 64.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 108.311 179.998 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -93.88 -1.29 55.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -96.26 -41.26 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.606 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.53 -23.36 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.91 72.91 0.61 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.16 -153.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 13.8 m -127.53 147.55 50.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.269 179.998 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.0 t80 -116.22 174.31 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.0 t70 178.98 144.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.624 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.8 p -135.8 16.43 3.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -47.77 77.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.63 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -141.33 133.3 13.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.96 -38.41 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.47 -44.58 2.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.883 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -87.26 170.3 12.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 92.7 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.3 m0 -33.55 -53.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.015 179.959 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.488 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.9 t -95.15 110.57 22.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 108.33 -179.995 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.799 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -129.34 168.83 15.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.947 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -71.03 162.94 69.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.97 120.02 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.765 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.5 tt -34.69 135.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.723 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.88 81.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -52.7 106.28 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.969 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -129.15 124.93 35.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -55.69 145.77 22.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.4 m 66.69 143.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 179.978 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -49.35 -61.64 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 110.373 179.993 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.8 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 -179.955 . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.33 -63.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.247 -179.997 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -178.82 118.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 30.2 t -129.44 158.8 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.402 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . 179.11 -35.86 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.93 47.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.692 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 33.8 p -120.92 -55.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.716 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 163.95 -29.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -40.8 -48.61 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.2 mt-30 -76.9 -36.23 56.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -109.84 46.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 108.292 -179.98 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.716 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -109.68 46.74 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.87 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.56 147.89 38.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.87 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 -0.42 9.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.02 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 91.14 -23.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.97 9.93 31.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.538 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -133.3 17.34 4.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.4 mmt85 -75.77 119.83 20.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -83.7 -9.55 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 59.47 119.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.2 -20.41 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.58 90.73 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.4 m-85 -139.76 147.62 52.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.621 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -91.62 85.76 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.595 -179.972 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.4 m -97.85 128.24 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.7 p -141.53 170.42 9.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.5 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.74 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.621 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -78.11 -37.02 47.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.982 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.534 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -73.94 -29.52 62.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 179.971 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.471 HD22 ' N ' ' A' ' 29' ' ' LYS . 2.1 m-80 -90.02 -3.56 57.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 28.7 t30 -101.06 -40.68 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.588 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.23 -27.05 43.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.71 72.97 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.53 -158.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.97 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.06 153.59 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.8 t80 -118.56 173.87 6.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.1 t70 -178.39 144.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.6 p -135.99 15.54 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -48.14 82.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.603 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.82 137.11 12.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 -37.46 2.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.45 -45.78 1.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.02 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -89.4 169.03 13.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.355 179.973 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 91.04 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.26 -55.99 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.05 118.31 30.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.998 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 9.1 p90 -140.48 167.98 20.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -71.65 163.0 69.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.01 124.56 8.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.547 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -31.49 136.52 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.15 76.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 5.8 pt-20 -43.69 118.01 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.51 67.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -162.19 149.86 14.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.6 t -125.67 -66.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.309 -179.936 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.8 m -72.79 -64.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.372 -179.988 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.987 . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.16 127.27 53.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.947 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -166.73 131.16 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' A' ' 9' ' ' ASN . 14.7 p -144.51 136.87 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.406 ' HA2' ' NE2' ' A' ' 10' ' ' GLN . . . -140.03 11.83 3.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' ' 8' ' ' ALA . 3.3 pp -88.92 -170.87 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 13.0 p -102.8 91.26 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.762 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 178.83 -75.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.956 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.772 ' HB2' HG21 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -58.05 -43.37 86.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.4 mt-30 -75.82 -29.04 58.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.26 43.34 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.762 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -114.87 53.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.991 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.0 151.08 40.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.991 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 1.16 8.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.013 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.12 -26.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.57 6.99 35.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -131.04 20.92 4.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.819 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.3 mmt180 -76.16 138.08 40.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 19' ' ' VAL . 69.3 t -96.68 -3.66 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.466 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 7.3 t0 49.69 99.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.19 -24.68 62.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.52 93.48 0.05 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.064 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.4 m-85 -138.07 147.39 55.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.538 0.787 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.57 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -89.82 84.09 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.634 179.933 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 21.8 m -94.1 139.06 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.644 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.9 p -151.44 173.65 4.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.633 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 36.22 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.8 tmtm? -177.6 -53.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.4 tt0 -61.83 -32.26 72.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.644 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -78.35 -39.98 37.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 108.319 -179.973 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.65 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.2 p30 -85.1 1.66 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LYS . 5.0 t30 -105.42 -36.5 7.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -25.44 66.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 123.8 70.6 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 169.83 -156.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 180.0 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.2 m -123.33 153.6 40.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.633 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.4 t80 -117.45 174.26 6.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.2 t70 179.81 141.16 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.609 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.5 p -130.2 13.81 5.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -53.31 59.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.621 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.91 137.45 16.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.94 -38.08 1.78 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.039 179.962 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.15 -46.57 1.89 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.013 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.84 170.8 10.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 93.93 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -33.69 -51.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.954 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 t -95.31 111.7 23.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 -179.988 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.819 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -132.18 162.21 31.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.3 mtpt -66.37 164.96 26.52 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.04 120.07 5.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.464 1.77 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.764 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.3 tt -35.35 125.54 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.659 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -69.31 56.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.975 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.612 ' N ' HD23 ' A' ' 52' ' ' LEU . 5.1 pt-20 -48.57 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 53' ' ' GLN . . . -124.11 169.91 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -91.84 168.14 11.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -57.21 175.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.351 179.97 . . . . . . . . 3 3 . 1 . 054 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.9 m 60.64 -83.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.434 -179.993 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' CYS . 32.6 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -91.37 176.02 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -66.93 153.89 42.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 4' ' ' VAL . 11.0 p -166.45 102.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.29 106.92 0.29 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.758 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -107.08 11.17 29.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.73 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.5 p -143.4 158.72 43.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.013 179.956 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 62.83 -86.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -45.21 -33.44 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 4.7 tt0 -81.97 -34.45 29.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.8 m -114.59 47.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 108.291 -179.999 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -115.29 55.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.004 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.32 151.52 40.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.004 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 1.91 7.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.809 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.015 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.73 -27.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 3.92 46.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.506 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -128.1 21.58 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.801 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -77.07 135.21 38.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 1.6 t -94.15 -8.16 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.0 t0 54.65 105.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -13.47 61.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.75 78.54 0.12 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.694 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -145.52 146.78 30.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.971 -179.969 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.02 -86.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.99 85.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.958 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.547 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.6 m -113.85 118.92 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.559 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -137.57 173.09 5.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.965 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.649 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 37.0 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.757 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.0 tmtm? -174.5 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 3.3 tt0 -77.18 -37.52 53.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.958 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.93 -27.85 60.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.931 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.434 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -94.11 -1.47 54.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.8 t30 -95.02 -44.95 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.694 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.5 -34.97 62.6 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.48 69.99 0.19 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.98 -157.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.97 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.1 m -122.44 147.94 45.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.247 -179.948 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.649 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.1 t80 -116.66 173.51 6.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.6 t70 -178.63 148.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 86.3 p -138.51 13.77 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -49.54 77.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.566 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -141.81 135.05 14.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.967 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.35 -46.64 2.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.015 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.43 170.43 12.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 92.87 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -32.6 -54.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.014 179.97 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.4 t -93.67 111.03 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 -179.999 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.801 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -130.68 165.59 22.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -67.57 164.78 35.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.0 121.72 6.76 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.788 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.3 tt -34.94 128.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -62.16 78.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.5 pt-20 -50.36 114.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.965 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -160.95 179.63 8.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -116.98 89.67 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.472 ' SG ' HG23 ' A' ' 58' ' ' THR . 20.9 t -108.11 -95.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.472 HG23 ' SG ' ' A' ' 57' ' ' CYS . 19.9 p -118.38 150.88 38.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.3 p90 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.96 . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.46 177.13 7.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -150.45 147.83 28.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.631 HG22 ' H ' ' A' ' 5' ' ' GLY . 4.7 p -174.57 176.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.631 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 160.31 -112.02 0.51 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.615 HD12 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER 34.34 86.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 0.786 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 2.8 p 162.47 -27.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.829 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -164.83 -45.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.64 -49.97 75.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -36.36 82.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.0 47.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 108.289 179.985 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.829 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -100.25 40.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.992 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.02 153.09 43.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.992 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 -59.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.009 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.16 -23.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 0.87 57.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -118.29 12.04 13.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.757 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.8 mmt85 -76.85 106.04 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.5 t -66.53 -12.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.52 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 51.2 t0 60.01 116.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -14.59 56.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 108.341 179.986 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.91 70.15 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -137.61 143.64 41.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.561 0.801 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.1 Cg_endo -75.03 -81.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.682 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -64.08 96.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.637 179.971 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' A' ' 48' ' ' CYS . 18.6 m -126.17 136.33 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.634 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 10.1 p -143.36 170.92 7.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.06 36.09 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.97 -48.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 3.1 tp10 -67.78 -29.92 69.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.634 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -81.45 -28.74 34.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.995 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.74 3.0 56.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -104.07 -36.2 7.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.58 -27.47 68.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.73 70.73 0.27 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.134 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.96 -155.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.991 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -126.4 154.55 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.659 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 61.5 t80 -120.68 175.09 6.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.582 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 7.9 t70 179.3 143.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.647 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -135.95 15.42 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.15 -40.27 97.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.725 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.2 130.45 6.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -29.72 7.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.51 -28.23 4.76 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.946 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.009 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -104.76 172.07 4.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.04 88.77 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.647 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.1 m0 -31.49 -55.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.986 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.563 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.8 t -93.47 110.29 21.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.342 179.987 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.757 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.8 p90 -131.28 165.8 22.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.6 mttt -63.62 161.85 32.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.436 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.96 125.42 9.34 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.742 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -37.37 130.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.12 78.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.0 pt-20 -54.12 106.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.241 -179.974 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.61 40.0 1.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 48.79 96.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.953 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.894 ' O ' HG22 ' A' ' 58' ' ' THR . 1.9 m -75.39 -68.98 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.894 HG22 ' O ' ' A' ' 57' ' ' CYS . 8.7 t 55.14 162.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' THR . 3.9 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 170.37 161.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.983 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 4' ' ' VAL . 33.2 t80 -72.76 90.71 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 3' ' ' TYR . 41.2 t -152.91 127.5 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.442 ' H ' HD13 ' A' ' 6' ' ' LEU . . . -125.07 -1.42 8.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.65 ' H ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -109.46 179.75 4.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 p 77.59 -162.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.038 -179.997 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -62.71 -35.52 80.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 8' ' ' ALA . 23.1 t-20 -36.52 -31.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -87.36 -48.26 8.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.96 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -111.78 47.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 179.985 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -113.77 51.23 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.922 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.89 149.75 40.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.985 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.922 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.95 1.79 7.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.02 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.8 -25.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.94 10.14 22.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.24 20.11 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.796 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -75.79 126.09 30.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' ASP . 43.7 t -87.34 -3.35 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.482 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 3.1 t70 39.85 91.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -16.22 64.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.996 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.91 103.07 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 19.2 m-85 -142.07 145.23 35.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -82.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -82.17 83.17 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.657 179.98 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.7 m -92.33 138.76 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.546 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.1 p -152.57 170.01 8.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 39.34 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.92 -43.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.7 tt0 -73.61 -42.2 61.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.8 -34.42 76.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.29 -179.979 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -86.35 -4.66 59.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 19.8 t-20 -98.46 -39.95 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -58.17 -23.28 54.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.47 73.16 0.5 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 172.79 -155.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.996 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -125.59 149.06 48.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.632 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.6 t80 -115.4 173.66 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.55 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.1 t70 -177.66 141.73 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.594 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.7 p -132.38 14.87 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -49.44 77.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.06 134.07 13.52 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -36.04 2.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.16 -46.89 3.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.02 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.73 171.14 10.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.542 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 92.34 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.594 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.47 -52.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.989 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.463 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.5 t -93.69 126.97 39.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 108.328 -179.982 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.796 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -149.2 164.5 34.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -65.63 163.6 33.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.0 122.84 7.46 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.789 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.3 tt -35.04 129.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.477 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -63.38 77.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.8 pt-20 -48.88 115.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -160.15 51.42 0.31 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 38.86 43.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 179.966 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.82 174.84 8.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 108.326 179.973 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 t -174.8 167.4 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 -179.983 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.991 . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 64.05 128.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 179.969 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.96 -163.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.1 p -153.38 76.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 10' ' ' GLN . . . 137.19 -12.62 3.83 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 137.61 56.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.9 p 75.9 -154.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -91.11 17.94 7.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -42.15 -48.79 4.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.73 -35.9 79.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.236 -179.955 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -106.39 43.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.967 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -103.6 44.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.021 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -96.49 157.24 35.73 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.021 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -59.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.87 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.0 -25.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 -8.13 52.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.457 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -109.29 14.37 23.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.796 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 3.5 mmt180 -77.49 104.62 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.435 HG11 ' HE3' ' A' ' 50' ' ' LYS . 2.8 t -62.33 -14.3 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 64.9 t0 59.79 115.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.58 -10.11 59.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 108.328 -179.994 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.96 70.54 0.89 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -136.68 144.08 45.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -81.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.679 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -63.87 97.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.563 -179.977 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 48' ' ' CYS . 21.4 m -126.75 134.59 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.721 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 11.6 p -142.76 169.36 10.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.652 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.02 36.54 0.44 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.31 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.512 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.34 -26.91 62.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.721 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -82.01 -28.87 32.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.325 179.986 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.427 HD22 ' CA ' ' A' ' 29' ' ' LYS . 2.0 m-80 -92.44 4.73 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -103.76 -35.14 8.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.63 -28.21 69.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.981 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.46 70.84 0.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.045 -179.953 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.32 -155.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -126.08 155.54 41.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 65.0 t80 -120.97 175.21 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 24.1 t70 178.43 143.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.644 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.7 p -134.36 13.71 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -43.46 95.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.852 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -148.39 131.52 8.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 -35.48 3.13 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.09 -25.45 1.05 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.87 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.46 171.37 4.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 0.0 109.285 -179.931 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 89.46 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.644 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.7 -53.91 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 108.022 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.534 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.4 t -94.59 109.09 21.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 108.328 179.947 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.796 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 3.7 p90 -129.47 165.89 20.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 6.0 mttt -65.18 161.5 48.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.96 123.69 8.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.797 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.3 tt -38.19 127.86 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -61.08 80.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.924 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.81 61.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.954 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.02 -64.29 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -174.88 148.31 1.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.5 p -91.23 115.03 27.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.35 179.998 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 m -130.47 -63.35 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.97 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 40.15 91.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -111.45 125.45 53.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.48 124.24 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.69 6.88 4.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.07 139.46 42.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 2.8 p 78.12 123.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 179.974 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 68.4 -74.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -49.91 -38.7 37.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.9 tt0 -78.46 -28.53 46.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 49.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.326 179.983 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.74 50.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.91 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.29 148.68 41.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.91 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 0.73 8.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.003 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.82 -21.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.7 12.53 23.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -136.11 16.59 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.674 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.0 mmt85 -75.85 118.96 19.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.6 t -82.27 -9.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 57.23 110.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -19.6 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 108.316 179.988 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.2 93.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.8 m-85 -139.54 147.05 50.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -73.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -89.48 85.62 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.618 179.959 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.564 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 21.5 m -96.5 139.11 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.608 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.2 p -151.53 172.92 4.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 38.35 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.11 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.9 tt0 -60.08 -44.16 94.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -65.07 -41.14 95.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 180.0 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -82.0 -2.45 51.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.358 179.977 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LYS . 49.5 t-20 -101.09 -36.06 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.54 -27.07 67.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 -179.99 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.2 70.55 0.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 169.95 -157.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -179.955 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -121.14 154.13 36.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.282 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.7 t80 -118.34 174.74 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.8 t70 -178.68 142.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.61 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.5 p -133.85 15.83 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -49.21 78.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.572 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.94 135.07 11.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.99 -35.5 3.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.41 -42.81 1.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.003 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.69 170.89 8.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.55 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 91.87 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.61 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.2 m0 -31.02 -56.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 107.988 -179.973 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.4 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.0 t -89.92 118.44 29.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 108.264 179.984 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.674 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.4 p90 -140.65 165.32 27.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.939 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.517 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.1 mtpt -67.27 165.02 31.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -74.97 126.78 10.21 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -35.55 144.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 059 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.62 76.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.2 pt-20 -45.58 113.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -142.94 70.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 45.39 68.65 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.242 179.984 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 53.61 177.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.336 179.982 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.8 m -86.34 143.35 27.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.398 -180.0 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.972 . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.87 96.24 2.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -76.2 153.67 35.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 p -150.26 157.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -155.94 -105.08 0.23 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.705 ' H ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.25 145.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 2.1 p 87.27 96.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 179.961 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . 39.35 -150.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.517 ' H ' ' HB2' ' A' ' 12' ' ' ALA . 0.7 OUTLIER 63.03 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 8' ' ' ALA . 4.3 pt20 -66.14 -38.74 88.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.951 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.7 OUTLIER -113.32 44.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.321 179.985 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB2' ' H ' ' A' ' 9' ' ' ASN . . . -111.65 42.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.902 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.02 147.66 58.42 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.902 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 2.36 6.71 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.07 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.33 -18.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.3 11.0 31.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.5 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.11 17.24 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.665 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.5 mmt85 -76.02 119.01 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 55.4 t -82.85 -8.1 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.447 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.1 t0 57.45 112.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -21.66 40.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 108.279 -179.958 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 68.83 93.11 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.8 m-85 -138.42 146.74 52.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -78.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -85.64 81.53 8.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.582 -179.98 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 19.7 m -90.35 140.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.623 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.9 p -152.59 173.2 4.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 37.01 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -177.76 -53.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.502 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.6 tt0 -62.0 -33.76 74.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.623 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.72 -38.17 47.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.645 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.8 p30 -88.89 5.65 42.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LYS . 11.6 t30 -107.78 -38.07 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.95 -27.43 66.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 127.02 72.13 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 -179.981 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 168.94 -157.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.98 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.452 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.7 m -122.39 155.2 36.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.953 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.2 t80 -120.13 174.51 6.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.1 t70 -178.22 145.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.634 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.7 p -134.73 12.4 3.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 -179.974 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -51.63 68.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.621 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.7 137.06 13.32 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.92 -35.95 2.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.51 -42.94 1.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.07 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.36 169.99 9.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 90.64 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.634 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.2 m0 -29.81 -56.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 108.032 179.993 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 t -89.78 118.74 29.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.323 179.968 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.665 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.1 p90 -141.6 166.76 23.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.5 mttt -71.64 164.08 60.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.03 124.59 8.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.2 tt -32.9 141.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.797 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -64.66 73.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 179.939 . . . . . . . . 3 3 . 1 . 060 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 52' ' ' LEU . 1.1 pp20? -40.26 123.94 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.25 57.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 39.8 85.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 p -53.81 135.25 42.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 108.284 -179.994 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.6 t -38.85 143.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.1 168.46 19.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -89.77 135.33 33.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.66 94.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.472 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -112.96 107.26 1.95 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -93.04 13.3 21.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.698 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 9.4 p -160.58 133.92 6.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 84.28 -62.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -59.0 -54.55 45.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -63.29 -28.63 70.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.95 46.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.312 179.968 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -109.03 43.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.851 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.86 147.37 45.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.851 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.97 -0.52 10.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.087 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.45 -18.28 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.81 7.53 45.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.715 ' HB3' HG12 ' A' ' 13' ' ' VAL . 3.8 t70 -133.05 19.41 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.0 mmt85 -76.22 99.23 4.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' ASP . 39.1 t -63.14 -15.46 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.3 t0 56.11 112.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.43 -15.67 42.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 108.279 -179.995 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.13 102.78 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 20.3 m-85 -141.99 145.27 35.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -85.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -79.3 81.06 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.592 179.987 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 19.8 m -89.58 137.59 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.567 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.7 p -151.74 171.58 6.41 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 40.07 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -179.86 -46.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.473 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.9 tt0 -68.8 -43.34 75.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -66.19 -31.98 73.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.995 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 5.4 t-20 -92.4 -0.53 57.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 11.3 t-20 -96.56 -39.38 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.23 -24.7 67.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.59 75.09 0.44 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.44 -159.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -123.28 149.45 44.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.8 t80 -115.58 173.7 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.556 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 2.1 t70 -177.65 142.84 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.8 p -132.88 12.01 4.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -50.45 72.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.635 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.35 136.54 13.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.96 -35.72 3.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.36 -46.48 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.087 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.48 170.06 12.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.592 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 89.54 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -27.89 -56.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.966 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.6 t -89.21 128.36 35.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 108.249 -179.965 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -151.44 163.6 38.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 19.7 mtpt -65.63 164.97 21.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.06 123.37 7.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.786 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.9 tt -34.07 125.97 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.647 ' NE2' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -68.94 58.51 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 061 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.701 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.6 pm0 -37.25 119.62 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.64 93.1 2.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 -179.961 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.98 -62.08 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.3 m -43.13 126.55 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.31 -179.983 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.2 t -116.79 165.95 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.389 -179.952 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.35 120.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -77.9 114.05 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.2 p -179.19 98.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -148.5 107.83 0.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.432 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -118.47 -60.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.584 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 30.0 p -117.71 153.18 33.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 75.74 -74.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -50.86 -41.25 57.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -74.93 -30.91 61.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.983 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.08 45.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.976 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -96.57 45.86 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.896 HG12 ' HB3' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -100.04 149.87 36.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.716 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.027 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.16 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 179.976 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.44 6.38 47.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.896 ' HB3' HG12 ' A' ' 13' ' ' VAL . 12.3 t0 -123.92 11.25 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.6 mmt85 -76.56 114.42 15.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -80.48 -10.67 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 59.1 117.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.31 -21.34 29.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.19 91.19 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CE1' ' HG2' ' A' ' 34' ' ' ARG . 9.2 m-85 -138.76 148.99 60.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -73.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.576 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -91.31 87.45 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.617 -179.999 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.2 m -99.15 137.33 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.574 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.5 p -150.69 172.01 5.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 39.02 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.73 -48.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.576 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 3.2 tt0 -69.12 -41.06 77.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -68.44 -40.5 81.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.98 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -81.09 -4.42 55.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 20.0 t30 -100.56 -37.86 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.589 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 4.1 tpt85 -58.56 -26.73 63.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.8 72.11 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.19 -158.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.963 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -119.88 152.13 37.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.9 t80 -116.19 173.37 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.3 t70 179.5 139.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.8 p -132.2 17.45 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.097 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -59.78 -43.85 94.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.792 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -150.3 133.82 8.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -75.02 -30.62 6.93 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.33 -30.95 4.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.027 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -103.96 171.78 4.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.956 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.548 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 89.98 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.7 m0 -31.26 -56.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 107.99 -179.993 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -92.58 113.15 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.987 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.3 p90 -133.39 166.12 23.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -62.11 164.06 11.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.529 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.95 123.54 7.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.529 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -30.62 127.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -90.13 39.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.418 ' H ' ' CD2' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -124.0 38.62 4.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.956 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.82 62.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.7 110.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.959 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.68 -63.39 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 108.342 179.991 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.1 m 59.54 155.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.999 . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -168.6 99.24 0.41 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -133.63 102.49 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 p -168.25 49.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.17 110.29 3.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pp -126.94 159.28 34.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.703 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 15.4 p 64.63 101.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.802 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 85.37 -52.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -55.88 -58.77 6.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 5.5 pt20 -68.26 -23.11 64.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -114.14 43.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 -179.963 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.802 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.19 47.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.899 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.03 148.83 46.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.899 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 0.81 8.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.049 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.82 -15.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.45 3.77 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.653 ' HB3' HG12 ' A' ' 13' ' ' VAL . 5.5 t0 -132.02 23.57 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -74.94 128.76 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG11 ' HD3' ' A' ' 50' ' ' LYS . 39.8 t -84.24 -7.74 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 59.4 t0 52.27 104.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -10.99 60.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.985 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.82 81.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.685 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -145.89 146.83 30.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.75 . . . . 0.0 111.036 179.977 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.99 -87.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.07 86.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.612 -179.975 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.536 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.8 m -115.87 119.22 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.548 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -137.93 172.88 6.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.03 36.59 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -174.39 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -78.9 -36.5 41.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -76.55 -27.8 56.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.244 -179.946 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -94.96 2.61 55.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.239 -179.943 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.8 t-20 -99.9 -44.36 6.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.685 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.59 -35.15 65.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.08 71.45 0.17 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 -157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.975 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 22.4 m -122.98 147.48 46.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.1 t80 -115.12 173.82 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 2.4 t70 179.46 143.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.642 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.9 p -135.99 18.46 3.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -66.25 -45.27 81.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.493 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.83 132.54 11.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 -37.49 2.01 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.04 -41.71 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.049 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.31 170.08 9.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 91.75 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.642 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -31.49 -53.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 108.0 -179.969 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.9 t -94.49 111.2 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 108.331 179.941 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.6 p90 -131.48 166.3 21.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 18.8 mtpt -72.36 165.88 46.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.08 122.83 7.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.798 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.5 tt -34.14 138.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.798 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.4 mp0 -66.06 71.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.1 pt-20 -46.45 112.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.19 -64.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -175.63 179.15 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.7 p -66.68 107.47 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 108.3 -179.994 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.63 -35.24 4.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.996 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.995 . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -176.98 165.33 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -107.61 145.06 33.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.2 p -163.79 82.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -128.42 110.19 1.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -125.66 141.65 51.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 0.718 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.567 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 60.5 p 46.72 60.12 3.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 109.946 179.985 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 171.96 -81.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -49.97 -46.13 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -29.85 65.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.63 47.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.14 45.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.921 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.04 148.05 59.38 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.921 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 3.21 5.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.8 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.99 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.99 -18.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.11 11.08 31.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -135.01 16.41 3.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.669 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 8.7 mmt85 -76.35 109.17 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 t -75.22 -7.02 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.4 t70 58.29 115.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.22 -22.15 28.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 108.317 179.977 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.22 98.27 0.04 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.96 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 17.9 m-85 -145.07 144.97 25.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.667 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -91.03 85.84 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.591 179.992 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.5 m -98.86 137.94 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 1.7 p -146.84 169.69 9.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.657 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 41.56 0.76 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -179.34 -50.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 30' ' ' GLU . 10.1 tm-20 -65.28 -46.6 79.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -62.22 -34.61 76.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 108.291 -179.984 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 7.4 t-20 -88.85 -5.85 57.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 57.9 t-20 -98.26 -39.93 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -57.07 -24.33 53.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.937 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.19 71.51 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 169.9 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.991 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -125.74 152.66 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.299 179.962 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 67.4 t80 -118.41 175.1 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.572 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 -179.32 143.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -133.75 14.37 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -50.39 74.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.559 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.2 134.54 12.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 -35.48 3.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.93 -41.45 1.94 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.99 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -93.25 170.89 7.98 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 91.76 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.568 1.825 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -31.57 -56.59 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 107.986 -179.989 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.408 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.5 t -90.08 116.32 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 -179.956 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -138.87 166.35 24.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.8 mttt -68.1 163.51 50.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.97 123.9 8.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.784 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.1 tt -32.98 133.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.702 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.2 mp0 -69.2 69.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 1.8 pm0 -40.62 121.74 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.89 -66.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.86 -59.89 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.32 131.71 45.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.317 -179.961 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 59' ' ' PHE . 16.9 m -56.68 152.67 11.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 -179.972 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -129.66 123.96 32.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 17.6 t80 52.27 87.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.979 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.5 t -139.23 104.73 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.63 17.33 2.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.529 ' O ' ' CB ' ' A' ' 7' ' ' SER . 0.2 OUTLIER -90.33 105.81 18.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 1.3 p 157.53 -25.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 110.031 -179.971 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.674 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 178.06 -39.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.8 -28.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 3.2 pt20 -94.58 -39.6 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -114.79 46.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 108.29 179.99 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.674 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -109.83 41.53 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.868 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -84.44 147.1 48.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.868 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.06 4.21 4.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.957 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.33 -16.71 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.54 9.35 40.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.68 17.65 3.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.686 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.2 mmt85 -75.75 114.41 14.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -80.36 -7.18 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.94 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' VAL . 5.2 t0 58.73 117.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.958 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.485 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.26 -19.32 31.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.977 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.37 91.07 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 15.6 m-85 -137.42 145.76 50.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -79.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 0.0 110.962 179.999 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.501 ' CD2' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -84.27 81.89 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.597 -179.961 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -91.7 138.41 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.625 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.9 p -152.74 173.13 4.82 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.953 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 37.66 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.8 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.84 -53.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.501 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 2.1 tt0 -63.24 -35.47 80.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -76.39 -30.85 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.331 179.991 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.53 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.2 m-80 -93.43 3.04 56.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' LYS . 18.8 t-20 -104.76 -38.99 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.78 -29.96 67.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.2 73.35 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.437 1.086 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.45 -159.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.998 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.83 155.86 33.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 78.0 t80 -119.09 174.27 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.576 ' O ' ' CG ' ' A' ' 47' ' ' TRP . 19.8 t70 178.48 144.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.649 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.8 p -139.49 17.21 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 179.98 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -63.6 -34.19 77.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.528 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -155.49 132.46 6.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.98 -37.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.41 -33.8 0.35 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.957 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -100.94 168.47 9.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.591 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 88.76 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.649 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 10.5 m0 -27.96 -57.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.99 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.442 ' HB2' HG11 ' A' ' 26' ' ' VAL . 1.9 t -89.33 117.47 28.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 -179.99 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.686 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -139.42 165.94 25.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -67.89 162.93 54.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 122.28 7.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.753 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.8 tt -33.13 136.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.559 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -65.1 73.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.946 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.1 pt-20 -44.61 119.95 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.3 107.93 3.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -168.09 140.53 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' C ' ' CG2' ' A' ' 58' ' ' THR . 1.3 m 59.02 80.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 108.304 -179.997 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.403 ' CG2' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 39.27 84.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 179.99 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 179.998 . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -115.96 -57.26 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -37.6 119.63 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.701 ' O ' HG13 ' A' ' 4' ' ' VAL . 6.2 p -171.35 97.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -61.28 -108.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.1 pp 37.0 53.07 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.2 p -176.46 -173.22 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -75.99 -28.25 57.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' ALA . 7.5 m-20 -38.43 -30.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 1.1 tt0 -85.32 -48.66 8.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -108.94 46.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.303 -179.988 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.621 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -101.36 41.93 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.016 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -91.76 153.58 43.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.016 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.03 -58.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.075 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 159.65 -22.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.44 -1.89 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.525 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -114.86 11.62 16.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.754 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.3 mmt85 -77.2 110.46 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 20' ' ' ASP . 23.5 t -73.15 -8.86 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.529 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 65.3 t0 59.4 117.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -18.23 46.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 -179.995 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.52 72.63 0.61 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -138.5 145.72 47.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.438 0.728 . . . . 0.0 111.012 179.943 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -79.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.649 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.8 OUTLIER -69.03 99.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 -179.967 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 48' ' ' CYS . 16.3 m -125.19 125.36 69.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.747 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 12.6 p -130.75 168.13 18.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 179.988 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.675 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 36.22 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -175.59 -46.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.529 ' H ' ' HG1' ' A' ' 27' ' ' THR . 0.3 OUTLIER -73.04 -27.34 61.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.289 -179.949 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.747 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.8 OUTLIER -79.46 -32.53 42.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.293 179.987 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -90.95 1.07 57.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -104.26 -38.81 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.571 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 3.3 tpt85 -58.63 -26.7 64.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 123.72 72.54 0.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.18 -157.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.993 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -123.86 155.71 37.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 108.246 -179.94 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.675 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.7 t80 -120.0 175.99 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.578 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 176.89 141.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.633 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.0 p -134.28 15.39 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.011 179.929 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -38.99 89.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.594 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -153.38 133.49 7.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 -33.97 4.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.58 -37.68 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.075 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -96.09 171.14 6.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.2 Cg_endo -74.98 92.02 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.633 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.1 m0 -33.43 -54.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.56 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.9 t -94.27 108.46 20.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.754 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.6 p90 -129.13 166.32 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.0 mttt -63.42 161.26 35.37 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.472 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.02 124.13 8.38 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.733 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -36.28 137.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 066 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 mp0 -66.59 71.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.612 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.3 pp20? -45.47 119.42 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.75 141.73 14.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.963 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -95.07 -59.63 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 -179.997 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.7 p -119.16 167.97 11.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.337 179.977 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.2 t -147.26 153.72 40.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -154.82 176.54 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 178.33 164.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 m -130.7 -170.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 141.69 -12.61 2.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.78 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -119.79 57.75 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.0 p -169.84 -150.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.801 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -114.44 19.78 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.97 -55.27 34.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -63.5 -30.44 71.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -115.6 48.44 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.61 45.07 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.907 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.49 147.92 45.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.907 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 1.08 8.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.985 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.84 -24.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.38 14.59 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -138.46 17.14 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.688 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.25 122.68 24.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 20' ' ' ASP . 62.2 t -82.53 -9.75 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.0 t70 56.65 109.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -10.44 59.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.97 87.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.097 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.707 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -151.97 147.02 19.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.02 -85.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.437 1.756 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -58.97 84.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 109.637 -179.994 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.561 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.1 m -112.65 117.54 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.931 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -138.7 173.78 4.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.415 179.966 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.642 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 36.46 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -174.31 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.997 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.31 -35.71 40.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.512 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 0.7 OUTLIER -78.07 -26.15 48.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 108.307 179.986 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -96.09 2.84 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.7 t30 -98.87 -44.23 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.707 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.87 -34.77 63.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.41 69.66 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.37 -155.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.5 m -123.49 149.51 45.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.3 t80 -118.5 173.98 6.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.0 t70 -176.37 147.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.6 p -137.55 12.5 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -51.06 71.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.601 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.23 135.93 14.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -36.78 2.38 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.78 -47.13 1.75 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.985 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.91 170.04 13.26 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.582 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 89.75 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.9 m0 -28.67 -57.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 108.023 -179.987 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.07 121.01 31.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 -179.981 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.688 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.9 p90 -143.13 165.89 26.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.9 mtpt -69.9 165.13 45.38 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.03 127.89 11.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.557 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -35.19 136.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.25 82.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.77 99.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.987 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -142.71 101.67 3.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -137.42 -58.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.2 m -136.61 146.06 45.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.297 179.971 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.2 m 63.47 159.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 -179.951 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.983 . . . . . . . . 0 0 . 1 . 068 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -173.47 156.16 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.502 ' O ' HG23 ' A' ' 4' ' ' VAL . 24.1 t80 -143.44 130.49 20.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 179.941 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 3' ' ' TYR . 65.7 t -156.11 128.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.28 98.68 0.73 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.455 HD23 HG12 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -108.88 81.19 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.2 p 176.19 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.693 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -142.67 -63.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 8' ' ' ALA . 30.2 t-20 -36.35 -31.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -88.41 -48.48 7.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.6 m -111.37 47.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.979 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.693 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -113.52 51.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.954 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.55 150.4 41.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.954 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 3.03 5.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.746 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.73 -26.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 6.78 35.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -131.01 20.39 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.803 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -76.18 129.92 37.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.998 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.3 t -86.72 -5.23 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 19' ' ' VAL . 60.6 t0 50.98 103.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -12.57 61.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 108.341 179.972 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.2 77.3 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -143.88 145.98 32.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.453 0.737 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.4 ' O ' HG22 ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.96 -82.76 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.687 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -62.45 96.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 179.986 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.7 m -126.51 124.15 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.555 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -138.23 173.67 5.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.98 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 38.85 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.43 -45.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.6 OUTLIER -71.44 -38.62 71.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -72.88 -29.33 63.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 -179.993 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -94.05 2.7 55.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.0 t30 -101.62 -39.73 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.56 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -60.92 -23.95 65.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.75 73.69 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.59 -154.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.467 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -126.98 147.99 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 179.988 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.5 t80 -114.62 174.39 5.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.0 t70 177.26 145.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.648 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.7 p -140.13 19.56 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.958 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -33.23 72.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.675 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.94 128.13 4.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -37.87 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.05 -27.87 0.44 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.746 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.35 170.54 5.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 068 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 90.2 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.648 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -32.4 -54.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.016 -179.994 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.456 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.2 t -93.78 111.96 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.803 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -131.99 166.31 21.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -68.53 163.49 53.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.96 124.16 8.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.756 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.2 tt -34.38 133.25 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 mp0 -64.94 73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.517 ' N ' HD23 ' A' ' 52' ' ' LEU . 7.9 pt-20 -46.25 116.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.254 -179.962 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.32 -68.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -107.88 155.45 20.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.6 m -64.13 -61.12 2.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 108.289 -179.994 . . . . . . . . 1 1 . 1 . 068 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 59' ' ' PHE . 3.9 t -163.61 -49.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 068 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.416 ' N ' HG23 ' A' ' 58' ' ' THR . 1.9 t80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 069 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 77.72 -63.37 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 -179.978 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -76.6 102.77 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 p -172.93 103.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -104.44 -10.77 32.82 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -128.05 109.1 11.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 0.783 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 1.7 p 179.22 -36.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 176.93 -51.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -36.04 -37.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.452 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -78.8 -51.61 9.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -106.13 47.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 108.256 -179.977 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -108.94 43.6 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.864 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.55 146.54 44.47 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.864 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 2.08 7.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.974 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.84 -18.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.22 10.28 34.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.983 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -135.44 18.77 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.3 mmt85 -75.9 115.56 15.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.01 -11.48 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.509 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t70 57.73 108.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.21 -8.78 57.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.24 80.08 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -147.57 143.23 17.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.97 -79.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.437 1.756 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.713 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -63.02 93.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.575 180.0 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.521 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.7 m -126.02 127.97 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.566 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -140.47 175.92 2.83 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -179.997 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 35.41 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.55 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 0.0 OUTLIER -67.7 -32.39 73.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -82.04 -26.88 33.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 -179.997 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -94.42 0.68 55.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 27.0 t-20 -101.58 -39.17 7.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.605 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.47 -23.58 64.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.971 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.61 75.36 0.6 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.72 -154.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -126.82 150.25 49.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 108.303 -179.957 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.4 t80 -117.75 174.95 5.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.5 t70 -178.87 143.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.617 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.4 p -135.69 17.06 3.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.979 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -66.03 -48.98 69.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.544 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.08 132.84 13.82 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.95 -36.44 2.59 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.6 -43.18 2.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.105 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.974 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -89.69 170.14 11.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 89.67 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.617 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -29.5 -57.82 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.994 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.484 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.6 t -89.86 119.46 30.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -141.58 166.84 23.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.528 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.0 mtpt -70.8 165.47 46.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 127.11 10.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.718 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -35.08 135.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 069 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.01 71.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.631 ' N ' HD23 ' A' ' 52' ' ' LEU . 6.0 pt-20 -43.24 117.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -170.34 -64.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.338 -179.946 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.92 77.28 0.31 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 069 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.9 m -135.25 -60.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.973 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.8 t -91.5 141.79 28.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 069 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.1 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.996 . . . . . . . . 0 0 . 1 . 070 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -178.44 132.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -39.64 160.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.583 ' O ' HG13 ' A' ' 4' ' ' VAL . 10.0 p -173.12 52.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.59 106.93 0.39 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.915 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.864 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -102.37 -101.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.43 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.5 OUTLIER 37.7 -98.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.037 -179.971 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.855 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -153.25 21.54 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.79 -58.76 7.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.489 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -63.23 -25.44 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -180.0 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 48.14 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.855 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -110.9 45.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.882 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.09 147.65 41.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.882 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 3.65 5.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.925 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.43 -15.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.95 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -97.05 7.22 47.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.43 18.89 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.681 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.7 mmt85 -73.96 120.15 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.2 t -80.22 -11.61 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.485 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.8 t70 57.9 108.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -15.33 61.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 -179.98 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.6 79.87 0.1 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.682 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -145.8 146.92 30.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.96 -86.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.89 85.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.62 -179.994 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.541 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.8 m -114.15 118.94 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.504 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.0 p -135.83 172.72 6.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.657 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 36.22 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 27' ' ' THR . 3.2 tmtt? -174.4 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -76.93 -37.4 55.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -75.5 -27.61 58.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.262 -179.948 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.18 2.92 53.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 6.8 t30 -100.59 -42.98 6.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.682 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -57.04 -33.8 67.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.41 72.32 0.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 178.37 -157.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.967 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 m -123.2 148.91 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.325 179.951 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.2 t80 -116.83 174.24 6.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.568 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.0 t70 -178.92 143.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.614 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.0 p -133.2 13.92 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 179.962 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -54.26 48.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.803 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.15 138.64 16.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.96 -36.97 2.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.788 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.5 -38.8 1.05 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.925 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.85 168.15 11.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.595 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 87.83 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -27.47 -57.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -90.0 119.76 30.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 108.329 179.992 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.681 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.2 p90 -141.89 164.47 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -66.98 164.39 35.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 126.33 9.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.769 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.1 tt -35.27 132.55 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.46 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -62.61 77.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.354 179.939 . . . . . . . . 3 3 . 1 . 070 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' LEU . 1.4 pp20? -44.04 121.78 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 070 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.58 148.07 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -99.95 96.46 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 58.9 m -106.02 166.54 10.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.312 179.989 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.3 t -63.65 147.02 52.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 110.412 -179.976 . . . . . . . . 1 1 . 1 . 070 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.98 . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 071 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -147.29 164.33 33.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.418 ' O ' ' O ' ' A' ' 2' ' ' GLU . 44.2 t80 53.02 106.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 p -179.8 90.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . 68.83 8.69 57.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.855 HD22 ' N ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.58 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.855 ' N ' HD22 ' A' ' 6' ' ' LEU . 89.4 p -47.05 -172.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.797 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -84.91 40.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.619 ' HB3' HD21 ' A' ' 6' ' ' LEU . 8.4 t-20 -61.75 -47.59 84.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -72.43 -26.12 61.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.339 179.974 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.96 45.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.981 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.797 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -110.46 47.76 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.877 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.43 147.85 40.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.877 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.95 2.02 7.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.07 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.5 -18.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.513 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.46 11.85 29.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.498 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.85 16.67 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.68 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 7.7 mmt85 -76.16 96.77 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 20' ' ' ASP . 66.8 t -62.59 -14.36 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.5 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.8 t0 56.19 111.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.971 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.11 -13.53 49.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.242 -179.982 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.17 102.38 0.04 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 17.6 m-85 -141.58 144.59 33.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -79.86 81.02 6.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.566 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.2 m -89.52 137.21 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.7 p -150.17 172.42 5.3 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.624 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 39.57 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -178.8 -54.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.953 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.571 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -60.78 -44.81 96.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -63.52 -34.98 78.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 108.252 -179.965 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 4.9 t-20 -90.63 0.13 57.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' LYS . 40.5 t-20 -97.96 -37.31 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.606 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -64.83 -21.87 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.33 73.79 0.49 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 -179.967 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.24 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -126.72 150.36 49.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.263 -179.999 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.624 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 64.9 t80 -116.27 174.44 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.4 t70 -177.52 144.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.1 p -134.29 12.07 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -49.66 76.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.584 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.68 134.73 12.49 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 -34.75 3.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.34 -46.95 2.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.07 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.83 170.88 10.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.741 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.576 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.01 90.59 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.3 m0 -29.15 -56.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 107.948 -179.972 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.493 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.4 t -89.47 128.02 35.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 108.313 -179.98 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.68 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.1 p90 -151.73 165.27 34.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.522 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.1 mttt -67.87 164.13 43.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.95 124.66 8.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.438 1.757 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.774 HD23 ' N ' ' A' ' 54' ' ' GLU . 1.7 tt -34.49 129.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.565 ' O ' ' CG ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -67.54 62.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 071 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.774 ' N ' HD23 ' A' ' 52' ' ' LEU . 5.6 pt-20 -36.67 125.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.82 47.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -82.93 64.41 7.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.84 167.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 108.306 179.974 . . . . . . . . 2 2 . 1 . 071 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.2 t -117.44 158.95 23.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.415 -179.977 . . . . . . . . 1 1 . 1 . 071 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 072 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.6 55.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.559 ' CG ' HG23 ' A' ' 4' ' ' VAL . 39.2 t80 -175.75 -87.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.559 HG23 ' CG ' ' A' ' 3' ' ' TYR . 2.9 t -152.03 -133.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.506 ' H ' HG12 ' A' ' 4' ' ' VAL . . . -101.62 40.13 2.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.683 HD23 ' H ' ' A' ' 7' ' ' SER . 0.5 OUTLIER -46.79 152.54 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 0.79 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.683 ' H ' HD23 ' A' ' 6' ' ' LEU . 4.3 p 77.02 -147.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.113 . . . . 0.0 109.956 179.982 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -96.41 19.49 12.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -48.48 -72.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.459 ' OE1' ' N ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -54.41 -27.86 39.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.266 -179.971 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -105.96 40.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 108.276 -179.978 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -106.53 41.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.872 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -80.8 147.23 61.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.872 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.91 1.16 8.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.067 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.79 -18.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.86 9.38 37.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.513 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -132.95 16.73 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.0 mmt85 -76.05 112.38 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 61.9 t -76.26 -7.14 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.9 t0 57.63 112.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -82.05 -20.23 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.971 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.04 97.86 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 21.4 m-85 -146.68 140.74 15.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.771 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.05 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -89.2 82.75 6.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.7 m -97.14 139.65 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.596 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 7.3 p -149.58 170.96 6.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.42 179.953 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 35.84 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.23 -49.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.5 OUTLIER -64.85 -33.02 75.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.596 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -79.44 -26.64 41.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.317 179.965 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.471 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -96.51 1.45 51.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LYS . 32.8 t-20 -104.7 -37.16 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.69 -31.05 70.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 129.62 73.6 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 167.09 -158.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.963 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -123.12 155.71 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 108.265 -179.978 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.9 t80 -119.91 174.74 6.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 14.6 t70 -179.34 143.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.638 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.7 p -133.48 13.6 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -57.21 -50.99 71.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.31 135.41 12.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.97 -35.71 3.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.5 -36.89 0.73 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.067 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -98.62 169.96 7.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.541 0.789 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.572 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 89.88 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.638 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.8 m0 -29.46 -57.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.409 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.3 t -88.65 117.5 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.9 p90 -140.97 166.37 24.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.517 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.9 mttt -72.03 163.92 63.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 123.27 7.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.793 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.8 tt -32.23 135.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.793 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -59.45 82.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 072 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.473 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.2 pt-20 -48.35 119.04 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 072 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -174.0 63.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -117.59 -43.13 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 79.7 m -125.7 164.35 20.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 108.314 179.988 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.7 t -49.45 147.79 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.426 -180.0 . . . . . . . . 1 1 . 1 . 072 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 073 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.26 168.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.457 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 8.7 p90 -98.08 131.28 44.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.1 t -135.5 95.99 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.96 12.59 2.61 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.7 pp -100.31 48.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.716 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 2.1 p 171.61 112.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.896 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 85.5 -57.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -61.72 -52.57 63.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 2.7 pt20 -65.72 -27.38 68.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.429 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 1.6 m -115.46 46.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 108.258 -179.976 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.896 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -117.13 57.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.031 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.21 152.41 39.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.948 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.031 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 2.53 6.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.778 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.32 -25.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.05 4.23 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -128.09 20.96 6.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.96 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.785 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.07 135.92 39.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 179.985 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 20' ' ' ASP . 11.5 t -94.13 2.13 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.3 t0 43.69 95.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -23.66 63.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 108.264 -179.984 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.0 96.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.568 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 12.0 m-85 -138.78 150.11 64.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -79.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -87.8 86.35 7.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 179.972 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -95.22 139.99 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.541 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -152.84 170.86 7.47 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 40.28 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -178.7 -47.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.0 OUTLIER -68.72 -44.03 74.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.355 179.961 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -64.73 -39.53 93.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.965 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' C ' ' ND2' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -81.8 -4.18 55.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 19.8 t-20 -100.14 -37.09 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 5.7 tpt85 -59.62 -27.22 66.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.94 71.7 0.25 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.28 -157.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.963 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.3 m -121.35 151.61 39.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.273 179.988 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.8 t80 -114.88 173.59 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.6 t70 177.24 140.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 80.6 p -131.17 17.37 5.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -58.63 -49.18 78.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.809 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.99 134.47 11.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.97 -37.44 2.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.94 -28.21 0.68 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.809 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -104.89 170.63 5.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 91.49 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.1 m0 -33.87 -52.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 107.988 -179.98 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.45 109.58 21.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.785 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -129.44 164.65 23.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.2 mttt -68.3 164.9 38.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 120.58 6.13 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.8 HD23 ' O ' ' A' ' 52' ' ' LEU . 2.9 tt -30.19 99.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.498 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -69.31 57.48 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.976 . . . . . . . . 3 3 . 1 . 073 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.546 ' H ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt0 -158.28 36.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.944 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.1 70.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.6 147.55 15.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.237 179.994 . . . . . . . . 2 2 . 1 . 073 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.5 t 49.88 91.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.272 179.947 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 t -149.44 -48.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 073 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.998 -179.997 . . . . . . . . 0 0 . 1 . 074 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 78.02 89.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -147.29 98.3 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 4' ' ' VAL . 9.6 p -174.6 114.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.4 100.47 2.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.39 -44.26 34.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.646 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 81.8 p -151.04 100.92 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 167.26 -81.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -51.03 -39.28 55.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.6 mt-30 -77.59 -32.33 53.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.2 42.6 1.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.309 -179.957 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -110.24 43.59 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.889 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.37 147.74 47.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.889 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 0.93 8.3 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.004 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.31 -21.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.28 12.84 23.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -137.92 18.2 2.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.7 mmt85 -74.62 118.91 18.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.442 HG11 ' CD ' ' A' ' 50' ' ' LYS . 70.8 t -74.92 -9.61 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.947 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.542 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 53.4 t0 54.95 104.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -17.36 63.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 -179.997 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.75 73.82 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -140.51 144.23 35.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.961 -179.953 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -75.01 -78.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.669 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -66.62 97.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.598 179.954 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.565 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.6 m -125.95 128.91 72.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.588 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 5.7 p -134.57 169.94 12.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.678 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.98 39.23 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.88 -51.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 3.8 tp10 -64.63 -42.76 95.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.571 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.59 -33.02 74.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 108.281 179.996 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -90.61 2.91 55.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -103.18 -35.54 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.54 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.0 -26.62 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.47 71.89 0.24 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.5 -156.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.1 m -125.98 152.71 45.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.265 -179.996 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 56.1 t80 -117.61 175.71 5.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.607 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 6.7 t70 -178.31 144.87 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.8 p -135.34 12.18 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -48.94 79.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.553 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.84 134.33 12.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.98 -36.05 2.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.07 -43.9 1.93 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.15 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.004 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -89.44 169.98 11.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 90.07 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -29.59 -55.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 107.991 -179.968 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.565 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.2 t -91.25 118.92 30.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.295 179.998 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.3 p90 -141.49 165.91 26.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.6 mtpt -71.58 165.86 45.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 126.06 9.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.787 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -35.4 126.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.656 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -69.05 58.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.963 . . . . . . . . 3 3 . 1 . 074 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.647 ' N ' HD23 ' A' ' 52' ' ' LEU . 4.6 pt-20 -39.07 117.1 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 179.977 . . . . . . . . 2 2 . 1 . 074 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.39 -45.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.938 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 49.53 75.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.4 t -177.19 65.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.248 179.99 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.4 p -118.93 -58.77 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 074 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.9 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.051 179.971 . . . . . . . . 0 0 . 1 . 075 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -46.12 103.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -176.18 179.52 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.728 HG13 ' N ' ' A' ' 5' ' ' GLY . 1.4 p -150.79 -154.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.728 ' N ' HG13 ' A' ' 4' ' ' VAL . . . 120.88 -0.81 11.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -106.13 -27.0 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.75 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.2 p -107.95 -175.73 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -98.17 23.19 8.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -45.56 -47.56 14.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -30.39 68.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -112.09 45.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.339 179.975 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -108.21 40.71 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.927 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.854 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.36 146.32 53.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.854 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -0.07 9.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.025 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.31 -15.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.86 7.29 46.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.968 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.617 ' HB3' HG12 ' A' ' 13' ' ' VAL . 5.6 t0 -135.47 21.81 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.674 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 12.5 mmt85 -74.76 115.69 14.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.3 t -71.26 -11.31 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.508 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 65.9 t0 55.67 109.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.48 -10.13 59.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.4 73.16 0.43 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -139.05 145.35 44.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.45 0.735 . . . . 0.0 111.016 179.929 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -81.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.761 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.67 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -63.87 97.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.622 -180.0 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 48' ' ' CYS . 17.4 m -126.79 132.0 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.607 ' C ' ' CD2' ' A' ' 38' ' ' PHE . 5.3 p -140.89 170.54 9.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.997 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.662 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 38.95 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.77 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 179.953 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.11 -41.58 94.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.575 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.02 -32.35 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 108.333 179.965 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.401 ' OD1' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -89.94 2.92 54.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.994 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -101.56 -35.56 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.589 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.32 -28.77 69.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.26 71.72 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.57 -156.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.7 m -124.89 153.59 42.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.662 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 51.3 t80 -121.32 175.28 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 8.9 t70 -177.64 145.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.6 p -135.43 13.3 3.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -47.13 85.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.538 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.88 134.08 11.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 -36.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.71 -45.1 1.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.025 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.59 169.61 13.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.05 89.99 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -29.7 -56.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 108.005 -179.963 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.56 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.7 t -90.33 117.92 29.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.288 179.968 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.4 p90 -140.3 165.99 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.552 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.9 mttt -69.51 164.72 47.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.93 124.74 8.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.78 ' C ' HD23 ' A' ' 52' ' ' LEU . 2.1 tt -33.18 137.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.762 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -64.05 79.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.983 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -68.55 60.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 075 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' GLN . . . -128.95 -68.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.235 -179.955 . . . . . . . . 2 2 . 1 . 075 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 178.54 -177.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.246 -179.988 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.3 m 54.09 96.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 108.297 179.988 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 p -96.34 -58.35 2.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 075 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.62 124.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -153.4 129.69 10.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -167.34 148.45 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -146.26 -103.85 0.38 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.629 ' O ' ' CB ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.08 -169.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 0.755 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.713 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 5.0 p 96.83 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 160.39 -25.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -51.04 -79.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.478 ' OE1' ' CA ' ' A' ' 6' ' ' LEU . 6.6 pt20 -45.15 -32.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' C ' ' O ' ' A' ' 8' ' ' ALA . 3.0 m -107.65 44.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -103.16 42.83 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.788 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.69 145.29 34.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.788 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 0.79 8.45 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.994 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.81 -25.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.51 11.71 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.53 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.37 17.55 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.1 mmt85 -75.23 112.69 11.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 7.0 t -70.26 -11.05 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 49.9 t0 58.13 115.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -10.25 59.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 108.348 179.949 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.37 77.56 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -144.9 144.98 25.89 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.4 Cg_endo -74.98 -80.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.699 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -63.87 95.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 -179.973 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 23.0 m -126.05 126.04 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.569 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.8 173.36 5.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.992 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.648 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 39.21 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.59 -46.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.2 OUTLIER -71.18 -38.36 72.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -73.56 -31.97 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 108.307 -179.981 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -91.67 0.26 57.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 11.9 t30 -100.84 -40.31 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -59.35 -23.48 62.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.72 75.1 0.59 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.27 -154.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -125.05 150.06 47.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.648 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.5 t80 -118.59 174.15 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 8.3 t70 -178.63 146.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.6 p -139.02 14.39 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -63.94 -46.19 85.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.541 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.83 133.97 11.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.05 -36.83 2.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.52 -46.17 2.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.994 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.61 169.42 15.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.597 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 88.43 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.9 m0 -27.49 -57.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.999 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.493 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.7 t -90.66 119.3 30.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.29 -179.931 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -141.22 167.56 21.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -70.46 163.7 60.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 124.49 8.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 111.054 179.95 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.796 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.8 tt -34.91 131.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.652 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -63.93 75.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 -179.971 . . . . . . . . 3 3 . 1 . 076 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.3 pt-20 -45.82 118.4 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.97 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -160.71 173.93 14.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.77 139.2 55.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.57 75.92 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 108.289 180.0 . . . . . . . . 2 2 . 1 . 076 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.5 t -69.26 157.79 36.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.436 179.955 . . . . . . . . 1 1 . 1 . 076 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 111.038 179.993 . . . . . . . . 0 0 . 1 . 077 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 077 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.43 161.63 20.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -173.57 130.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.46 HG23 ' CD2' ' A' ' 6' ' ' LEU . 14.8 p -174.44 130.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.91 20.55 0.88 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.564 HD23 ' H ' ' A' ' 6' ' ' LEU . 2.3 pt? -98.41 124.71 43.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.685 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.0 p 62.7 133.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 82.7 -73.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER -49.61 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CG ' ' HB3' ' A' ' 51' ' ' PRO . 1.4 pt20 -46.31 -33.3 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.09 41.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.349 179.951 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -107.81 40.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.907 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -81.5 148.28 62.01 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.907 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 3.16 5.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.898 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.44 -21.51 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -93.68 9.62 36.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.72 18.44 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.706 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.9 mmt85 -73.0 119.14 16.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.03 -14.45 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.509 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 59.02 111.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.27 -14.01 61.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 108.328 179.973 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.45 73.04 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -140.88 144.48 35.7 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.98 -76.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.414 1.744 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.671 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -68.88 97.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.626 179.989 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.543 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.5 m -125.91 130.55 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.599 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.8 p -138.12 171.4 8.4 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 40.46 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.74 -54.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 1.4 tp10 -61.24 -43.78 98.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -64.26 -33.11 75.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 108.274 -179.965 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -92.52 4.86 52.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -104.22 -35.01 8.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -64.49 -29.8 70.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.21 69.6 0.14 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 174.24 -158.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -179.951 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.458 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -124.04 154.12 40.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.312 179.985 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.666 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 60.4 t80 -119.05 174.72 6.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.572 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 6.2 t70 -179.22 141.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.0 p -130.34 13.4 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -55.84 27.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.811 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -140.94 139.14 18.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -74.99 -38.15 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.812 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.61 -39.03 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.898 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -93.82 167.82 13.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 077 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 89.65 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.4 m0 -29.82 -55.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 107.973 -179.973 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.543 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.9 t -91.46 119.09 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 -179.985 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.706 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.2 p90 -142.21 167.98 20.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.554 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -75.58 164.82 58.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.554 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 126.25 9.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.563 1.823 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.4 tt -32.98 137.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.797 ' N ' HD23 ' A' ' 52' ' ' LEU . 3.5 mp0 -64.36 74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.3 pm0 -40.76 126.8 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.949 . . . . . . . . 2 2 . 1 . 077 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.16 64.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.945 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 54.78 84.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 m -138.91 162.42 34.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 108.308 -179.998 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.2 m -93.74 154.6 17.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 077 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 -179.974 . . . . . . . . 0 0 . 1 . 078 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 078 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -174.42 -177.92 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -154.71 166.77 32.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 4' ' ' VAL . 13.8 p -175.32 113.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.25 3.84 5.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.06 52.14 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.679 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 9.7 p 169.37 107.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 82.12 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -41.49 -28.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -85.62 -43.57 13.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 078 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.5 m -110.69 47.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.295 -179.983 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -111.49 48.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.921 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.94 149.42 47.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 078 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.921 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.972 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.26 -23.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.81 9.38 32.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 078 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.529 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -133.14 17.67 4.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 078 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.693 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.19 117.26 16.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 24.5 t -75.76 -10.53 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.522 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 55.2 t0 58.13 112.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.158 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -18.35 60.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.59 72.45 0.66 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -139.53 144.07 38.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.983 -179.988 . . . . . . . . 3 3 . 1 . 078 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -77.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.669 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -68.87 97.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.596 -179.986 . . . . . . . . 3 3 . 1 . 078 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.9 m -124.14 129.69 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.664 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 9.1 p -135.24 171.93 8.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.936 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.678 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 35.06 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.1 tmmt? -177.84 -48.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.491 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.9 OUTLIER -66.44 -26.89 67.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 078 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.664 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -83.57 -34.12 25.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -179.981 . . . . . . . . 3 3 . 1 . 078 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.621 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 17.3 p30 -90.85 4.31 52.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.7 t-20 -106.02 -37.15 6.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.555 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.99 -27.78 68.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.948 . . . . . . . . 3 3 . 1 . 078 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.93 70.69 0.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.33 -156.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.99 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.446 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -125.85 154.44 42.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.354 179.99 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.4 t80 -119.58 176.38 5.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.585 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 12.2 t70 179.11 142.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.617 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.1 p -131.98 13.03 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -53.25 60.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.631 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.36 136.83 16.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 078 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 -36.47 2.51 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.72 -45.76 2.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.972 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.15 169.64 13.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.362 179.942 . . . . . . . . 3 3 . 1 . 078 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 92.0 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.617 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -31.45 -56.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.582 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.3 t -91.35 115.05 27.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.693 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.5 p90 -136.68 166.09 24.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.3 mttt -67.82 163.85 45.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.96 124.73 8.87 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.576 1.83 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.778 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 tt -35.01 130.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.506 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -61.8 78.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 078 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.505 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.8 pt-20 -47.54 117.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -150.5 82.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -99.6 83.44 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.77 67.27 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.324 -179.972 . . . . . . . . 2 2 . 1 . 078 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.0 m -66.49 -60.93 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.414 -179.98 . . . . . . . . 1 1 . 1 . 078 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 110.953 179.993 . . . . . . . . 0 0 . 1 . 079 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 079 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 173.28 -63.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.951 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.6 t80 179.24 121.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -148.53 126.97 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.346 -179.996 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.556 ' H ' HD13 ' A' ' 6' ' ' LEU . . . -129.26 3.42 6.27 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.582 1.176 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.652 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -110.09 46.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 0.725 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.4 p -156.4 -156.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . -61.65 -144.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.709 ' N ' ' HB2' ' A' ' 12' ' ' ALA . 8.6 m-80 54.96 -89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -54.68 -42.35 71.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.2 45.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.273 -180.0 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.709 ' HB2' ' N ' ' A' ' 9' ' ' ASN . . . -108.85 44.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.913 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -84.19 148.0 52.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.913 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.01 1.16 8.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.551 1.816 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.968 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.12 -16.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.07 7.26 46.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.498 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.88 19.13 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.704 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.2 mmt85 -74.59 101.62 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.29 179.963 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 5.8 t -61.55 -18.93 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.549 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 57.24 112.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -83.85 -9.76 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 108.344 179.924 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.91 97.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.638 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -156.78 145.39 14.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 111.018 179.949 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.01 -86.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.418 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.14 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 179.973 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 32.5 m -116.36 116.92 53.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 p -129.11 169.95 11.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.463 179.948 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.691 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 38.3 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.0 -37.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.475 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.7 tt0 -79.61 -35.18 39.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -75.13 -28.62 60.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.322 179.969 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -96.1 1.95 52.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.363 179.984 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 3.0 t-20 -101.05 -42.16 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.638 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -58.71 -27.13 64.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.995 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 74.77 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.94 -154.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.7 m -129.81 147.76 51.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.346 179.993 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.691 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.1 t80 -115.66 175.17 5.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 3.0 t70 -178.03 143.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.609 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -133.87 10.68 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -59.45 -49.57 77.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.565 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.82 134.29 13.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.999 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -36.88 2.31 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.74 -47.44 2.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -84.88 169.78 15.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 89.62 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -28.8 -56.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.033 179.99 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.0 t -89.96 126.44 35.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 108.274 -179.99 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.4 p90 -149.28 168.15 24.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.527 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 26.2 mtpt -71.85 165.65 47.72 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 129.17 12.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.459 1.768 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.72 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -35.68 137.64 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -64.35 76.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 079 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' N ' HD23 ' A' ' 52' ' ' LEU . 6.4 pt-20 -41.91 126.78 3.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 079 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -174.79 125.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 58.2 169.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.9 m 74.36 -68.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.292 -179.994 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.5 t -116.24 153.1 32.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.402 -179.967 . . . . . . . . 1 1 . 1 . 079 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.981 . . . . . . . . 0 0 . 1 . 080 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.15 -50.78 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -120.78 106.62 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.674 HG22 ' H ' ' A' ' 5' ' ' GLY . 1.4 p -131.87 -160.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.674 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 136.38 -8.3 4.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.12 45.08 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.776 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.617 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 54.8 p -169.89 101.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.69 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 79.08 -57.95 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -55.0 -29.42 57.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.343 -179.993 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.482 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.0 tt0 -85.82 -36.71 19.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.36 46.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.317 179.999 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -101.32 41.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.008 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -90.06 153.62 47.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.008 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -59.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.985 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.74 -23.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 1.62 57.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -119.78 13.22 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.748 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.7 mmt85 -77.12 103.96 7.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.463 HG11 ' HE3' ' A' ' 50' ' ' LYS . 2.9 t -63.35 -16.65 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.546 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 54.9 t0 57.98 114.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 1.307 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -79.52 -26.03 41.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.27 75.66 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -142.21 144.34 31.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -78.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.802 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.687 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -65.97 96.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.576 -179.987 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.528 HG11 ' HB2' ' A' ' 48' ' ' CYS . 17.2 m -126.0 125.48 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.657 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 4.3 p -128.0 169.93 11.5 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.442 -179.984 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 39.26 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -178.5 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.927 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 2.6 tt0 -63.4 -39.06 93.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.657 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.04 -39.1 92.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 108.327 179.979 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -85.67 0.37 52.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -100.88 -36.33 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.603 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -62.85 -20.5 65.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 118.36 70.02 0.36 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 1.307 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER 173.38 -153.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.956 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.46 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -130.0 153.72 48.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.266 -179.941 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.697 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 57.7 t80 -117.34 174.77 5.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.601 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 2.6 t70 -179.79 142.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.1 p -136.26 16.82 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -68.4 -32.83 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.651 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.57 126.09 3.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.953 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 -32.41 5.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.44 -25.26 1.96 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.985 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -106.65 172.64 3.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.546 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.3 Cg_endo -75.05 89.19 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -32.41 -54.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.528 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.0 t -93.26 115.26 27.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 108.32 179.943 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.748 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.0 p90 -137.68 165.19 26.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 6.1 mttt -63.48 162.7 24.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.02 125.33 9.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.74 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -37.22 129.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 080 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 77.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.512 ' N ' HD23 ' A' ' 52' ' ' LEU . 5.2 pt-20 -46.07 117.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.439 ' C ' HG22 ' A' ' 58' ' ' THR . . . -164.85 -54.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -70.76 -64.09 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 179.977 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 90.2 m -86.19 78.14 9.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 -179.997 . . . . . . . . 1 1 . 1 . 080 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 58' ' ' THR . 8.7 t -174.28 56.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 080 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.6 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.985 . . . . . . . . 0 0 . 1 . 081 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 64.36 -83.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -80.36 107.98 13.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 p -179.79 79.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.38 -11.14 54.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.58 ' O ' ' CB ' ' A' ' 7' ' ' SER . 0.9 OUTLIER -114.46 101.14 8.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.963 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 2.6 p 153.11 -174.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.763 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -105.18 13.17 31.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -51.54 -49.69 61.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -68.46 -33.5 74.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -112.93 47.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -115.16 53.61 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.895 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -97.2 148.74 34.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.895 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.93 1.55 7.57 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.074 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.28 -20.58 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.46 4.09 53.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -129.07 21.71 5.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.853 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.8 mmt180 -76.1 131.89 39.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.955 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.4 t -89.86 3.4 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.488 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 43.2 t0 44.4 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -20.67 65.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 179.988 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.22 76.5 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -142.32 143.33 26.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -79.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.671 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -66.18 96.89 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 179.976 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.514 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.0 m -125.48 122.76 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.625 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 6.2 p -126.39 170.35 9.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 -179.972 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 37.99 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.35 -51.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' H ' ' HG1' ' A' ' 27' ' ' THR . 4.0 tp10 -63.63 -39.65 94.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.334 -179.978 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.28 -39.27 93.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 108.319 179.963 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 8.5 t-20 -86.41 -1.68 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -97.69 -34.84 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.57 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -65.88 -21.04 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.36 70.52 0.34 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 173.5 -154.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.974 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.1 m -129.92 151.23 50.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.277 179.991 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.697 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 64.6 t80 -114.41 175.74 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 25.9 t70 175.71 139.15 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 86.9 p -129.06 17.74 6.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -61.8 -48.71 79.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.589 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.79 136.9 13.87 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 -37.99 1.81 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.96 -49.61 2.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.074 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -85.22 169.94 14.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.749 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.493 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 96.11 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -35.01 -49.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.447 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.3 t -97.74 104.8 16.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.853 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -123.83 165.73 16.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -68.78 164.06 49.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.498 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.97 121.56 6.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -33.67 116.11 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.48 32.74 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.81 42.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 56' ' ' GLU . . . -119.26 142.17 48.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 55' ' ' ALA . 0.5 OUTLIER 172.48 143.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 081 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.6 p -42.99 132.41 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.29 -179.965 . . . . . . . . 1 1 . 1 . 081 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 59' ' ' PHE . 7.6 t -172.37 -48.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.436 179.956 . . . . . . . . 2 2 . 1 . 081 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.413 ' N ' HG23 ' A' ' 58' ' ' THR . 27.0 p90 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 3' ' ' TYR . 3.8 tm-20 -161.35 27.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.887 ' O ' HG23 ' A' ' 4' ' ' VAL . 1.8 t80 58.07 147.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 -179.962 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 3' ' ' TYR . 2.0 t -169.81 99.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' HA3' ' NE2' ' A' ' 10' ' ' GLN . . . -90.21 104.07 3.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.631 HD12 ' N ' ' A' ' 7' ' ' SER . 3.9 pp -116.95 -53.51 2.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.631 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -82.42 -171.11 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.94 . . . . . . . . 3 3 . 1 . 082 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . -39.02 -84.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.44 ' N ' ' HB2' ' A' ' 12' ' ' ALA . 4.6 m120 37.9 -92.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' A' ' 8' ' ' ALA . 2.0 mt-30 -48.97 -40.42 30.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -108.61 45.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.32 179.943 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB2' ' N ' ' A' ' 9' ' ' ASN . . . -113.92 47.4 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.926 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.97 150.03 42.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 082 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.926 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 2.86 6.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.552 1.817 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 87.13 -27.44 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 6.11 36.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.506 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.02 23.34 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 082 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.784 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -75.51 114.52 14.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 082 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.564 HG11 ' HD3' ' A' ' 50' ' ' LYS . 40.1 t -67.39 -18.46 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 52.69 106.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.967 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -13.44 59.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.38 98.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.596 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -156.39 144.74 14.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 082 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.0 -85.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.551 1.816 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.405 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.32 84.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 -179.983 . . . . . . . . 3 3 . 1 . 082 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.1 m -113.97 117.25 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.626 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 7.0 p -123.71 170.18 9.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.709 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.01 38.01 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.7 tmtm? -177.45 -50.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 6.5 tt0 -64.45 -39.96 94.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.608 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.03 -34.13 77.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.285 -179.979 . . . . . . . . 3 3 . 1 . 082 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 4.2 t-20 -93.3 1.17 57.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 37.8 t30 -99.05 -37.31 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.596 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -64.43 -22.71 67.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.939 . . . . . . . . 3 3 . 1 . 082 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.03 71.19 0.27 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 174.8 -155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.94 . . . . . . . . 3 3 . 1 . 082 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.4 m -130.45 150.56 51.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 -179.987 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.709 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 50.0 t80 -115.72 175.46 5.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.637 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 5.2 t70 -178.99 142.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 -179.965 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.588 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -134.03 16.63 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -65.06 -43.65 91.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.818 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -147.57 132.71 9.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 082 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -37.8 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.57 -29.54 0.76 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.818 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -100.76 168.9 8.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 082 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 87.77 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.588 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -30.15 -52.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -94.25 121.8 36.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 108.322 179.975 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.784 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -144.24 164.87 29.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HD3' HG11 ' A' ' 19' ' ' VAL . 22.0 mtpt -70.27 164.4 53.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 125.86 9.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.799 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -35.37 139.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.754 ' N ' HD23 ' A' ' 52' ' ' LEU . 4.1 mp0 -59.15 83.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -54.63 102.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 082 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.31 -55.13 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -77.44 75.2 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.25 -55.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 108.264 179.982 . . . . . . . . 2 2 . 1 . 082 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 t -165.6 162.67 19.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 -179.951 . . . . . . . . 1 1 . 1 . 082 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.999 . . . . . . . . 0 0 . 1 . 083 nuclear build full ' A' A ' 1' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 2' ' ' GLU . 14.8 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.8 OUTLIER 160.18 160.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 083 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.88 -171.34 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.79 HG22 ' OE1' ' A' ' 54' ' ' GLU . 1.7 p 175.25 93.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.37 48.36 0.7 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.466 HD12 ' H ' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -74.31 -168.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 083 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 p -55.34 -17.8 5.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.766 ' C ' ' HB2' ' A' ' 12' ' ' ALA . . . -114.13 -74.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.601 ' C ' ' O ' ' A' ' 8' ' ' ALA . 8.6 t-20 -23.96 -48.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.9 tt0 -71.13 -59.18 2.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.8 m -101.19 46.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 108.325 179.996 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.766 ' HB2' ' C ' ' A' ' 8' ' ' ALA . . . -113.57 52.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.897 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.72 148.94 37.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 083 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.897 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.1 0.05 9.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 1.041 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.81 -26.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.933 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.77 7.4 30.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.743 ' HB3' HG12 ' A' ' 13' ' ' VAL . 8.7 t0 -133.11 22.19 4.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.145 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.829 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.7 mmt180 -76.48 136.63 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.431 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 2.0 t -91.78 3.57 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.495 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 36.2 t0 43.44 93.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -14.26 52.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.56 72.23 0.57 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -136.28 143.64 44.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -90.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.538 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -56.17 93.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.624 -179.998 . . . . . . . . 3 3 . 1 . 083 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.55 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.4 m -125.27 122.46 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.586 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.5 p -133.07 168.55 17.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.634 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.93 40.23 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.8 tmtm? 179.96 -35.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 20.8 tt0 -84.57 -26.67 27.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -83.18 -24.9 32.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 083 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -95.1 0.85 54.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 083 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 37.5 t-20 -105.32 -38.66 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.595 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.23 -29.75 68.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 083 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.16 75.44 0.28 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.79 -159.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.3 m -123.16 149.87 44.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.3 179.998 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.5 t80 -114.49 174.7 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.7 t70 176.45 140.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.609 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.9 p -129.66 17.19 5.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.947 179.985 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -51.51 69.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.576 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.58 137.74 15.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 083 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.93 -38.34 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.431 1.753 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' PRO . . . -37.56 -47.37 1.64 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 -179.931 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.041 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -87.6 170.02 12.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 083 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 95.21 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 -179.996 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -34.58 -50.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.965 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 5.7 t -98.11 101.56 13.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 108.309 -179.991 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.829 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -119.41 165.11 14.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -67.24 163.87 41.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 083 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.476 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 119.25 5.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.787 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.9 tt -35.15 134.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.737 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -63.07 78.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.257 -179.956 . . . . . . . . 3 3 . 1 . 083 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.79 ' OE1' HG22 ' A' ' 4' ' ' VAL . 5.5 pt-20 -51.83 111.34 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 -179.986 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.53 -66.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.91 165.07 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.952 . . . . . . . . 2 2 . 1 . 083 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.6 m -43.06 159.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 108.294 -179.957 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.3 t -39.74 158.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 083 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.959 . . . . . . . . 0 0 . 1 . 084 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 176.6 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -133.97 158.71 42.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.581 HG22 ' H ' ' A' ' 5' ' ' GLY . 4.4 p -164.94 174.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.581 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 155.06 -111.23 0.48 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.576 HD23 ' H ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -40.34 107.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.696 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 2.0 p 163.6 -34.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 162.75 -28.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ALA . 9.0 t-20 -53.32 -85.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.459 ' OE1' ' N ' ' A' ' 6' ' ' LEU . 5.4 pt20 -45.83 -24.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ALA . 2.1 m -112.49 44.63 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -101.94 44.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.724 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.57 143.54 29.29 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.724 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 5.15 4.15 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.96 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.41 -17.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.17 8.25 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -133.32 18.82 4.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.706 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.8 mmt85 -75.03 116.95 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 20' ' ' ASP . 18.8 t -77.95 -10.32 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.7 t70 58.95 114.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -8.91 59.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.31 179.989 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.34 79.83 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -146.8 146.0 24.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 -179.999 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -80.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.693 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -64.73 96.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 -179.961 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.5 m -125.86 125.16 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.564 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -140.04 173.49 4.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 -179.958 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 39.37 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.36 -47.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.937 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -70.84 -39.11 73.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -72.46 -27.4 62.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 108.259 -179.954 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -95.9 4.22 52.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 22.9 t-20 -101.96 -39.75 7.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.601 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.06 -23.15 65.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.82 73.39 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.127 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.14 -153.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.985 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -126.87 150.0 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.8 t80 -118.06 174.21 6.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.7 t70 178.05 143.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.659 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.4 p -139.93 18.3 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -31.46 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.483 HD13 ' CG2' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -154.76 129.9 5.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.936 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.439 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -36.57 2.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.39 -35.65 0.83 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.96 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.83 168.83 9.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.07 88.77 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.659 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.2 m0 -28.47 -58.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.484 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.5 t -89.76 118.93 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 108.289 179.997 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.706 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.5 p90 -140.86 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -71.01 163.78 62.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.03 125.59 9.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.94 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -33.14 118.31 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.16 40.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 084 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.49 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -126.12 39.92 3.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.997 . . . . . . . . 3 3 . 1 . 084 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.5 102.51 8.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.11 -55.37 3.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.7 p -81.55 76.85 8.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 108.285 -179.984 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 m -123.82 154.31 39.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 084 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.983 179.949 . . . . . . . . 0 0 . 1 . 085 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 53.02 179.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.551 ' CD2' ' HB ' ' A' ' 4' ' ' VAL . 35.1 p90 -113.5 -46.05 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.551 ' HB ' ' CD2' ' A' ' 3' ' ' TYR . 2.2 t -152.71 132.54 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.84 102.11 0.16 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.807 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -87.22 130.9 34.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 3.3 p 160.27 -26.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.857 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -169.17 -46.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -53.93 -65.59 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.496 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -71.76 -18.92 62.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.989 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.3 38.84 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.351 179.973 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.857 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -105.7 45.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.871 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.63 148.1 39.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.871 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 0.81 8.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 87.89 -25.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.92 6.62 38.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.708 ' HB3' HG12 ' A' ' 13' ' ' VAL . 10.3 t0 -133.23 22.75 4.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.832 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 3.2 mmt180 -75.89 131.64 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.513 HG11 ' HD3' ' A' ' 50' ' ' LYS . 76.0 t -85.62 -8.95 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.8 t70 53.47 105.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -14.24 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 108.312 179.977 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.92 73.02 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.943 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -138.94 145.48 45.69 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 111.017 179.996 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -79.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.656 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -66.76 98.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.633 179.955 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.5 m -126.11 126.49 69.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.612 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 5.5 p -131.28 170.04 12.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.939 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.696 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.89 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.4 -51.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' OE1' ' CD2' ' A' ' 25' ' ' HIS . 4.4 tt0 -64.05 -41.14 97.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.609 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -63.89 -37.23 86.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 108.304 -179.999 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 3.6 t-20 -87.96 -0.52 57.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -96.74 -35.78 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.567 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -65.79 -24.48 66.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.3 71.36 0.29 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 175.0 -157.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.977 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.441 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -125.77 152.13 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 108.274 179.987 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 54.5 t80 -118.09 175.29 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 11.0 t70 178.79 144.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.614 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.4 p -135.59 15.78 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -64.56 -40.47 95.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.766 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.21 130.55 7.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 -37.99 1.8 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.54 1.811 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.26 -28.45 0.54 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.766 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -102.3 169.94 6.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 89.95 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -33.05 -53.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.544 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.7 t -94.43 110.63 22.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.832 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.7 p90 -131.37 165.62 23.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HD3' HG11 ' A' ' 19' ' ' VAL . 22.1 mtpt -71.59 164.44 57.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.95 125.31 9.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.3 tt -35.25 137.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.801 ' N ' HD23 ' A' ' 52' ' ' LEU . 5.7 mp0 -64.65 77.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.954 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -63.48 86.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.973 . . . . . . . . 3 3 . 1 . 085 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.13 65.82 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.33 -58.89 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.945 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.5 m -119.52 -59.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.266 -179.966 . . . . . . . . 1 1 . 1 . 085 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.01 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 -179.98 . . . . . . . . 2 2 . 1 . 085 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.9 mt-30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.38 41.25 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.95 42.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.967 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -95.7 152.13 38.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.967 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.022 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.19 -24.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.67 7.11 44.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.534 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -124.25 11.13 8.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.721 ' NH1' HG21 ' A' ' 45' ' ' VAL . 13.0 mmt85 -77.01 116.91 18.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 43.8 t -81.63 -8.9 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 6.0 t0 58.75 115.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.93 -20.92 29.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 66.62 93.41 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.591 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.1 m-85 -140.21 148.97 56.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -75.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.633 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.98 84.88 6.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.591 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.8 m -95.99 136.37 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.546 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.0 p -151.61 171.46 6.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.579 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.92 39.54 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.53 -45.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.574 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.6 tt0 -72.62 -38.26 67.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.45 -27.79 60.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.267 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.453 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.5 m120 -93.45 -0.84 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 20.8 t30 -101.61 -41.58 6.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.417 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.18 -29.01 60.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 74.99 0.31 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.84 -159.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.23 152.87 37.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 108.323 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 82.0 t80 -117.74 173.39 6.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.9 t70 178.95 142.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.623 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.7 p -135.35 17.74 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -60.22 -42.85 96.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.816 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -150.64 133.87 8.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.07 -30.57 6.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.93 -28.98 4.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.022 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.53 171.32 4.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 88.86 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.623 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -30.36 -55.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.987 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -92.45 113.94 26.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 108.315 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.717 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -135.28 164.87 26.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -65.74 161.56 52.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.99 124.21 8.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.756 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -35.09 133.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.431 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.3 pt20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.49 43.13 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.265 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.81 40.53 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.981 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.68 152.42 40.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.981 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 -58.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.019 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.76 -24.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.4 4.51 53.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.542 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -121.7 11.17 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.721 ' NH1' HG21 ' A' ' 45' ' ' VAL . 12.6 mmt85 -76.47 116.09 16.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -81.61 -10.49 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.5 t0 59.09 117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -23.81 30.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.25 91.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.6 m-85 -139.26 147.81 54.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -71.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.631 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -91.4 84.99 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.629 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.3 m -96.37 135.33 30.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.523 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.2 p -148.88 169.75 8.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.6 Cg_endo -74.99 38.75 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.053 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.07 -40.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.1 tp10 -76.69 -40.61 48.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -69.74 -35.22 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.287 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -85.85 -3.09 58.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.7 t30 -100.61 -40.04 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.502 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -56.99 -26.32 59.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.7 73.07 0.33 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.99 -158.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.82 151.71 39.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.9 t80 -116.32 173.92 6.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 30.5 t70 178.21 142.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.637 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.2 p -135.85 15.5 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -59.14 -39.4 82.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.703 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.33 131.81 6.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.96 -31.74 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.9 -29.07 3.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.019 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.57 171.73 4.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 90.26 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.637 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -31.72 -55.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -92.44 113.4 25.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.303 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.714 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -134.37 164.22 27.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.8 mtpt -63.8 162.21 30.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.04 124.25 8.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.733 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -37.12 132.0 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 41.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.13 38.21 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.954 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.32 151.67 41.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.954 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -57.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.033 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.35 -23.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.12 5.55 51.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.3 m-20 -123.0 11.03 9.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.73 ' NH1' HG21 ' A' ' 45' ' ' VAL . 12.9 mmt85 -76.34 116.48 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 87.7 t -82.26 -9.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 2.2 t70 58.95 116.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.61 -23.42 29.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.13 91.88 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.597 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.3 m-85 -138.95 148.84 59.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -76.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.63 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.8 83.42 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.3 m -94.15 136.51 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.54 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -152.26 169.87 8.87 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.92 39.06 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.83 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.496 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.7 tt0 -78.88 -37.26 40.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.96 -28.8 60.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.659 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.9 p30 -94.21 3.25 55.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.0 t-20 -104.56 -42.14 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -30.09 62.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.83 75.21 0.26 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.37 -159.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -120.37 152.37 37.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.288 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.2 t80 -118.14 173.21 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.9 t70 179.83 145.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.655 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.8 p -140.13 16.4 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -33.94 76.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.657 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.23 129.48 4.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.01 -33.07 4.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.73 -28.1 1.56 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.033 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -106.12 172.02 4.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.55 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.03 89.4 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.655 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.7 m0 -31.1 -55.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.59 112.16 24.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 108.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.708 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -133.24 163.98 28.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -64.37 161.92 38.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 123.32 7.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.755 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -37.34 138.05 0.34 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.49 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.453 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -113.93 47.02 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.75 51.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.955 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.98 150.37 40.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.955 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 1.4 7.79 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.031 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.35 -27.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 9.94 21.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -133.91 20.01 3.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.826 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.6 mmt180 -75.87 136.36 40.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 13.3 t -95.88 -3.98 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.3 t70 50.94 102.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.5 -22.67 60.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.67 93.8 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -139.67 149.11 58.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.97 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -77.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.646 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.43 83.53 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.587 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.5 m -93.78 135.25 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.534 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -151.02 170.68 7.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.02 39.08 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.12 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.59 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -76.26 -39.54 54.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.64 -30.78 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -92.29 1.09 57.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.0 t-20 -101.92 -41.07 6.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -30.34 66.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.31 75.57 0.25 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.0 -159.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.5 m -120.62 151.23 39.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 108.255 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.0 t80 -117.17 173.33 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.3 t70 -179.5 145.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.61 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.7 p -135.63 14.3 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -48.22 80.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.576 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.81 136.15 12.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.03 -37.39 2.03 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.63 -46.38 2.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.031 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.1 170.87 10.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 92.56 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.61 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.82 -52.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.988 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.85 112.55 24.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.826 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.7 p90 -132.55 162.87 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -65.95 163.84 33.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.491 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -75.02 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.2 tt -33.83 134.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.783 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.61 45.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.83 40.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.96 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -94.01 152.34 40.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.96 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.05 -57.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.1 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 158.78 -22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.34 2.85 56.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.534 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -119.8 11.38 11.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.735 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.1 mmt85 -77.07 117.55 18.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' ASP . 49.0 t -83.56 -9.18 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.4 t0 59.88 117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.68 -20.88 28.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.11 92.89 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 m-85 -139.83 148.36 55.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -75.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.631 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -88.46 84.35 6.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.5 m -95.77 137.92 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.558 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -152.56 172.08 5.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.95 40.24 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.54 -49.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.528 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 5.1 tt0 -66.88 -43.86 82.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -65.0 -34.04 77.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 10.5 t30 -90.35 -1.61 57.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 34.9 t-20 -95.52 -39.45 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -27.41 68.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.87 73.72 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.64 -158.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.505 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -121.19 152.18 39.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 108.339 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.8 t80 -117.85 173.44 6.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.6 t70 -179.11 144.05 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.4 p -136.26 14.63 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.041 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -58.69 -41.94 87.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.581 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.0 135.59 9.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.448 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -36.49 2.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.57 -39.74 1.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.1 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -95.24 171.16 6.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 91.28 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -31.66 -55.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 108.047 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.9 113.6 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.735 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -133.88 163.41 29.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -61.75 162.49 16.11 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.0 121.22 6.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.748 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -37.23 134.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.422 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.3 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.18 46.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.27 54.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.022 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.63 151.7 42.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.022 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 1.68 7.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.997 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.09 -27.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.78 6.3 35.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -129.99 20.35 5.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.5 mmt180 -76.06 140.24 41.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 19' ' ' VAL . 54.5 t -99.9 -1.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 19' ' ' VAL . 7.6 t0 48.18 99.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.85 -22.35 61.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.0 93.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.9 m-85 -139.21 148.8 58.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -76.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.639 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.96 84.55 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 0.0 109.569 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.583 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.4 m -95.32 134.45 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.53 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -150.01 171.38 6.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 38.86 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.23 -42.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.574 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.2 tt0 -75.04 -37.97 61.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.4 -27.34 60.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.272 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.519 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.3 m-80 -94.8 0.12 54.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 15.5 t30 -101.03 -41.44 6.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -29.16 64.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.53 76.2 0.36 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.53 -158.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.4 m -121.41 151.53 40.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.5 t80 -117.5 173.49 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.2 t70 -180.0 144.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.604 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 85.4 p -133.76 14.63 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.071 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -51.35 69.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.584 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.54 135.71 14.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.364 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 -37.02 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.47 -44.01 2.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.997 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -90.35 171.75 8.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.06 93.38 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.604 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.3 m0 -33.66 -53.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.42 111.11 22.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 108.33 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -130.88 162.19 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.4 mtpt -66.4 166.62 16.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.573 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.03 122.48 7.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.748 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.2 tt -33.74 144.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.578 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.62 44.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.29 54.58 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.002 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -94.2 151.29 39.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.002 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 2.94 6.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.8 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.57 -25.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 5.51 44.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -129.81 20.78 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -76.22 135.97 39.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 19' ' ' VAL . 93.4 t -95.41 -3.12 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.6 t0 49.74 99.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -22.58 62.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.48 92.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -138.35 149.06 61.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.641 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.49 84.32 7.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.587 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.0 m -94.79 134.89 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.542 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -149.98 171.21 6.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 39.41 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.43 -44.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.562 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.4 tt0 -72.91 -40.51 65.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.84 -30.68 67.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 108.239 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -92.79 1.98 56.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.5 t-20 -102.5 -40.29 6.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.53 -28.49 67.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.32 75.54 0.31 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.43 -159.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 m -121.47 150.92 40.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -116.02 173.1 6.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 29.0 t70 179.12 144.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.617 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.2 p -133.77 15.92 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -50.52 72.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.806 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.56 136.16 12.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.99 -38.73 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.84 -31.99 0.49 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.806 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -101.47 170.41 6.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 91.6 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.617 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -33.47 -52.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.02 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.17 112.26 24.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 108.295 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -132.65 161.43 33.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.0 mtpt -64.92 163.72 27.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 116.93 4.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.1 tt -33.09 131.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.756 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 41.75 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.12 40.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.958 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.06 152.45 41.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.958 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.02 -59.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.079 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.72 -23.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.95 4.49 53.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.52 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -121.66 11.12 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.0 mmt85 -77.18 118.67 19.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -85.22 -8.36 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.8 t70 58.75 118.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -26.06 26.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.248 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.8 90.14 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.586 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.5 m-85 -139.26 147.46 53.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -74.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.616 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.32 82.76 7.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.57 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.586 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.7 m -94.64 138.46 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.541 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -151.57 170.93 7.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 39.97 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 10.8 tptm -178.32 -47.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.587 ' OE2' ' CE1' ' A' ' 25' ' ' HIS . 2.2 tp10 -68.9 -43.39 75.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -65.97 -37.52 86.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 108.341 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -83.55 -8.33 59.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 12.2 t-20 -93.76 -41.22 9.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.532 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.15 -22.45 28.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.47 72.01 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.01 -156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.495 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -122.93 151.67 41.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.6 t80 -117.31 173.87 6.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.566 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 33.2 t70 -179.58 142.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.628 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.6 p -136.11 16.33 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -37.89 88.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.487 HD13 HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -153.42 132.31 6.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -34.19 3.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.87 -40.67 2.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.079 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -95.1 172.89 4.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 93.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.628 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.79 -54.24 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 107.983 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -93.8 112.24 24.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 108.349 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.3 p90 -132.65 164.58 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -63.27 162.36 25.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.97 121.44 6.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.783 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -35.25 126.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -113.84 46.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.94 52.51 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.967 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.3 150.39 38.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.967 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 3.12 5.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.789 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.761 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.83 -22.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.52 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -90.63 5.3 48.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.495 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.41 21.54 5.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.824 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.2 mmt180 -76.05 136.35 39.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 20' ' ' ASP . 12.5 t -96.4 0.07 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.4 t70 46.12 97.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -23.79 64.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 108.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.23 93.77 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.8 m-85 -139.29 148.51 57.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.642 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.11 84.72 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.621 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.578 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -95.72 137.11 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -151.23 172.15 5.69 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 40.22 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.1 tttt -178.84 -49.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.581 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.3 tt0 -66.55 -44.26 82.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.59 -34.94 79.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.274 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 12.7 t30 -89.31 -1.42 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.5 t30 -96.15 -38.59 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.72 -27.02 68.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.99 74.57 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.27 -158.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.2 m -122.02 151.06 41.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.287 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.4 t80 -115.95 173.14 6.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 30.6 t70 179.55 144.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.7 p -133.39 16.3 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.66 -51.87 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.806 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.86 135.04 13.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -37.64 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.05 -30.37 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.806 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -103.04 171.06 5.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 92.08 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -34.31 -52.94 0.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 107.969 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.7 t -93.9 111.59 23.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 108.336 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.824 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.9 p90 -131.87 161.8 32.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -64.44 163.22 27.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.495 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 116.41 4.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.776 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -33.27 133.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.741 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.3 mp0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.06 43.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.29 53.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.941 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.68 149.85 36.63 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.941 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.99 2.93 6.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.755 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.22 -20.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.521 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.45 5.3 49.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.491 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.89 21.62 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.831 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.9 mmt180 -75.33 137.17 40.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 20' ' ' ASP . 20.7 t -96.93 -4.03 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER 49.4 99.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -23.89 61.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.86 93.52 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -138.76 148.62 59.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -77.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.642 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -86.28 82.32 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.58 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.0 m -92.44 136.06 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.9 p -151.06 170.2 8.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.613 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.95 39.51 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.79 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.7 tp10 -76.02 -40.01 54.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.14 -29.25 63.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.28 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -94.23 2.24 55.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.3 t30 -103.1 -42.37 5.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -28.25 59.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.93 75.22 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.77 -159.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 m -121.05 152.09 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 108.349 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.613 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.4 t80 -117.39 173.28 6.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.553 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.0 t70 179.53 145.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.0 p -136.56 16.32 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -46.76 87.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.779 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -146.09 133.48 10.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 -37.81 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.88 -29.13 0.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.779 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -104.26 170.98 5.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 91.56 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.0 m0 -33.76 -53.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.017 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -93.13 113.32 25.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.262 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.831 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.9 p90 -134.08 162.42 32.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -66.06 163.54 36.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 118.51 5.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.662 HD23 ' C ' ' A' ' 52' ' ' LEU . 3.3 tt -33.11 137.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 45.52 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.69 44.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.965 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -99.45 155.76 36.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.965 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -58.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.904 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.46 -25.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -4.62 57.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -113.56 14.65 19.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.788 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 4.8 mmt180 -77.03 103.03 6.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 20' ' ' ASP . 40.4 t -64.83 -14.68 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.6 t70 59.46 117.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -22.01 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 108.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.86 90.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.597 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 10.2 m-85 -135.31 149.07 68.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -73.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.46 1.769 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.634 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.63 84.82 6.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.613 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 22.3 m -96.31 139.32 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.557 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.4 p -153.16 172.06 6.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.616 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 40.48 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.446 1.761 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -178.86 -50.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.509 ' HB3' HG23 ' A' ' 27' ' ' THR . 3.2 tt0 -65.6 -45.03 84.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -63.2 -35.51 80.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 108.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 9.3 t30 -88.96 -1.7 58.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.6 t30 -96.0 -37.94 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.06 -28.24 69.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.31 73.98 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 172.25 -159.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -120.57 151.67 39.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 108.289 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.616 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.7 t80 -115.98 172.81 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 33.4 t70 -179.53 141.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.626 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.3 p -134.87 17.14 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -41.9 96.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.84 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.59 132.91 8.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.432 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 -36.83 2.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.93 -27.69 1.06 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.474 1.108 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.904 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.58 170.65 5.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 0.737 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 89.82 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.626 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -32.27 -53.95 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 108.01 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.63 114.9 26.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.788 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.6 p90 -134.8 164.95 26.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.3 mtpt -64.79 162.87 32.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.05 125.68 9.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.725 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -37.29 137.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.63 44.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.09 38.85 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.951 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.84 151.57 39.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.951 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 -59.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.043 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 162.14 -23.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 3.47 55.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.548 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -120.63 11.27 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.742 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.8 mmt85 -77.23 119.62 21.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.4 t -85.83 -9.18 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER 59.74 116.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.47 -22.67 28.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 108.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.15 92.41 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.9 m-85 -139.71 149.06 58.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.479 0.752 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -76.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.817 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.637 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.79 83.85 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.572 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.8 m -94.7 136.66 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.547 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -151.51 171.48 6.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 39.8 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.789 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.88 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.583 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.7 tt0 -70.77 -41.12 72.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -69.77 -32.82 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.263 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.458 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -90.17 -2.03 58.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.8 t-20 -98.18 -41.44 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.366 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -29.53 64.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.93 75.08 0.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.48 -159.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -120.19 152.18 38.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.1 t80 -117.9 173.37 6.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.558 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 31.7 t70 -179.85 144.41 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.636 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.2 p -138.62 14.55 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.954 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -60.94 -35.05 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.545 HD13 HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.36 132.56 6.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -35.95 2.88 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.537 1.809 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.37 -42.5 1.83 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.043 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -93.07 172.23 6.32 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 93.02 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.636 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.8 m0 -32.8 -54.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.013 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.71 114.34 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.742 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.7 p90 -134.52 163.51 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.78 162.08 18.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.03 120.66 6.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.571 ' HB2' HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -37.12 139.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 39.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.72 41.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.968 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.69 153.15 42.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.968 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 -59.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.082 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.92 -23.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.98 1.1 57.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -117.73 11.33 13.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.737 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.4 mmt85 -77.21 117.31 18.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 t -83.62 -9.57 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 60.08 119.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.78 -26.28 27.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.98 88.79 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.2 m-85 -139.3 146.83 50.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -69.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.6 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -90.61 83.73 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.596 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.3 m -97.15 135.92 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.571 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.6 p -149.93 171.99 5.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 40.25 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.57 -49.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.557 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.8 tt0 -67.29 -43.08 82.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.571 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -64.75 -39.47 93.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -82.26 -7.36 59.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 44.8 t-20 -93.22 -38.35 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.599 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -60.59 -22.73 64.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.98 72.94 0.51 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.35 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.7 m -123.12 150.74 42.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.246 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.3 t80 -115.31 173.62 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 35.4 t70 178.43 141.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.611 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.2 p -135.55 17.95 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -37.77 83.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.693 HD13 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -155.89 135.63 8.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -36.84 2.31 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.6 -34.03 0.66 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.082 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -101.23 170.48 6.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 91.83 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.611 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.1 m0 -32.77 -53.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.43 111.97 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 108.268 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.737 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -132.25 164.85 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -64.36 163.22 27.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 120.57 6.13 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.788 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.8 tt -34.37 123.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.706 ' H ' ' NE2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.252 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.479 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 6.6 tt0 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.06 46.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.2 54.57 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.015 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.16 151.66 43.27 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.015 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 2.09 7.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.447 1.762 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.983 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.48 -26.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.47 6.69 36.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.497 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -130.45 20.3 5.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.9 OUTLIER -76.5 136.29 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 19' ' ' VAL . 77.9 t -96.3 -2.11 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.0 t0 48.63 99.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.77 -23.56 61.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.2 93.89 0.04 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.095 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.5 m-85 -139.55 148.69 57.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -75.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.643 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.66 84.61 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.619 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.5 m -95.42 134.93 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.545 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -150.6 171.41 6.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.577 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 38.65 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.9 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.586 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.6 tt0 -74.4 -37.88 63.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.262 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.02 -27.14 59.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.263 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.455 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.2 m120 -94.54 0.42 55.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.6 t30 -101.61 -42.27 6.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -29.67 62.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.91 76.19 0.34 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.48 -158.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -121.5 151.35 40.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.1 t80 -117.18 173.41 6.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 -179.89 145.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.611 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 78.2 p -134.67 14.11 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.965 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -53.21 60.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.584 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.69 135.81 15.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -37.83 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.45 -42.5 1.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.983 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.31 171.24 8.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.97 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.611 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.43 -53.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -93.95 111.02 22.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 108.299 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -130.88 162.45 29.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.3 mtpt -65.41 166.57 13.41 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 122.28 7.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.784 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.59 128.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.518 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.492 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 6.2 pt20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.492 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -103.32 43.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 108.293 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.83 38.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.15 150.76 40.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -55.99 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.119 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 157.97 -21.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 2.52 55.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.1 m-20 -120.07 11.7 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.711 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.2 mmt85 -76.35 117.49 18.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -81.78 -9.37 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.493 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 51.6 t0 58.46 115.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -84.89 -24.31 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 108.247 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.87 91.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.3 m-85 -137.37 148.62 62.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.612 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -90.8 85.44 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.57 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.599 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.7 m -96.63 138.71 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.552 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.4 p -152.74 170.38 8.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 40.07 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.29 -44.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.602 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.3 tt0 -72.47 -41.83 65.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.536 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -68.1 -37.08 80.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.298 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -83.53 -5.29 59.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 22.1 t-20 -98.02 -39.51 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.467 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -57.71 -25.85 60.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.12 72.91 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.19 -157.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -121.5 151.11 40.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 108.311 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.9 t80 -116.41 173.66 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.3 t70 178.58 142.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.8 p -135.14 15.81 3.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -60.18 -41.65 93.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.588 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.66 133.94 8.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -34.97 3.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.429 1.752 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.56 -33.61 1.0 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.119 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -101.22 171.05 5.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.372 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 90.39 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.0 m0 -31.43 -56.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -92.23 109.68 21.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.711 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.2 p90 -130.11 165.7 21.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.8 mtpt -66.48 163.72 38.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.497 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 126.19 9.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.74 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -36.23 132.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.1 tt0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.1 m -113.69 46.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 108.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.07 55.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.033 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.05 152.06 42.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.033 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 3.28 5.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.897 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 84.55 -26.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.2 4.52 45.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -128.36 20.9 6.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.804 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -76.3 138.44 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 19' ' ' VAL . 55.1 t -98.15 -0.17 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 19' ' ' VAL . 5.6 t70 46.09 97.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -23.66 63.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.84 94.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.4 m-85 -140.3 148.56 54.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -77.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.602 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -87.7 85.74 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.526 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.3 m -96.87 136.0 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.555 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -150.55 171.64 6.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 39.33 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.58 -44.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.602 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -72.52 -39.1 67.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -72.53 -33.07 66.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 108.311 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -85.34 -6.41 59.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 16.2 t-20 -99.1 -40.26 8.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.54 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 3.4 tpt180 -55.1 -26.0 35.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 118.65 72.62 0.41 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.91 -158.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.9 m -120.2 151.43 39.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -116.03 173.32 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.2 t70 179.62 142.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.615 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.9 p -131.54 14.4 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -54.05 49.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.238 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.692 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.85 136.27 16.13 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -37.59 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.64 -40.57 2.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.897 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -92.86 171.2 7.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 93.2 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.615 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -34.27 -52.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 108.023 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.41 111.64 23.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.804 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -131.6 161.26 33.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.549 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.5 mtpt -64.64 165.88 13.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.93 121.59 6.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.747 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -33.8 135.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.1 pt20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.9 43.88 1.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 108.27 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.01 39.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.013 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.04 153.59 43.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.013 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 -59.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.016 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.21 -24.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 0.59 57.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.538 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -118.25 12.82 13.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.8 mmt85 -76.2 112.22 12.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 19' ' ' VAL . 2.2 t -73.43 -13.04 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER 60.05 118.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.01 -13.68 55.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.45 79.0 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.656 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -144.85 147.74 36.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.97 -87.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.426 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -58.04 84.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.65 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.561 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.3 m -113.46 119.55 61.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.53 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -137.83 171.9 7.65 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 37.87 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.8 tmtt? -174.74 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.93 -38.1 46.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -74.3 -26.89 60.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 108.325 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -96.43 2.54 52.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 6.7 t30 -100.23 -43.84 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.656 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.96 -34.06 65.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.46 71.64 0.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.76 -157.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.5 m -122.66 149.16 44.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.6 t80 -116.87 173.81 6.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.3 t70 179.89 143.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.631 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.2 p -136.28 14.43 3.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -58.88 -43.69 90.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.776 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.55 134.04 9.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 -33.15 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.49 -31.34 2.4 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.016 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -101.76 170.77 6.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 87.72 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.631 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -29.41 -56.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.038 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -92.46 114.39 26.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.281 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -135.5 164.35 28.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.3 mttt -63.97 161.96 34.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.5 Cg_endo -74.97 125.3 9.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.749 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -35.82 134.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.432 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.85 46.16 1.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.71 46.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.921 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.68 149.09 50.51 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.921 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.98 1.33 7.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.451 1.763 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.023 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.08 -24.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.97 13.63 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.537 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -136.73 16.25 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.684 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.1 mmt85 -76.02 118.31 18.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' ASP . 97.2 t -81.74 -9.09 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 59.01 116.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -19.8 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 108.338 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.51 92.45 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.4 m-85 -139.48 148.3 55.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 111.025 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -76.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.645 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.44 83.47 7.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.599 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.1 m -94.2 134.98 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.526 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -150.57 170.83 7.15 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.0 39.12 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 7.0 tmtm? -177.23 -41.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.508 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.7 tt0 -76.14 -39.04 55.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -73.22 -29.47 62.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 108.308 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -94.13 2.55 55.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.6 t30 -103.36 -40.59 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -31.21 67.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.79 75.16 0.21 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.87 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -120.16 152.84 37.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.5 t80 -119.2 173.5 6.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.077 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.5 t70 -179.03 144.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.63 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.8 p -134.63 13.84 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -49.64 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.607 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.63 136.94 13.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.03 -37.21 2.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.77 -44.26 1.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.023 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.18 169.47 11.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 90.85 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.63 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.2 -56.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.038 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 t -90.0 119.78 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.684 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -142.49 164.35 30.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.7 mttt -67.84 163.59 48.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 123.13 7.66 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.445 1.761 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.3 tt -32.44 138.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.762 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.479 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.06 48.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.23 43.87 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.875 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.4 147.37 46.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.875 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.94 0.86 8.36 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.02 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.07 -20.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.18 11.36 28.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.52 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.94 16.67 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.666 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.2 mmt85 -75.78 115.41 15.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.8 t -80.76 -8.6 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.3 t70 58.9 117.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.86 -18.27 38.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.38 92.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 11.7 m-85 -140.9 146.4 43.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -75.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.641 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.52 84.34 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.651 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.1 m -96.21 134.88 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.547 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.8 p -150.38 171.67 6.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.557 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 39.43 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.44 1.758 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.29 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 7.4 tt0 -73.87 -37.54 64.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.2 -27.6 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.3 m120 -93.84 -0.92 55.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 7.5 t-20 -100.68 -43.29 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.55 -31.83 57.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.05 75.47 0.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.22 -159.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.92 153.07 36.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 108.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.4 t80 -118.06 173.35 6.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.6 t70 -179.11 142.18 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.423 1.077 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.626 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.3 p -133.23 15.66 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.054 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -58.26 -51.1 71.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.607 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.31 137.12 14.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.97 -36.72 2.41 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.806 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.54 -43.0 1.48 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.02 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.73 169.32 10.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 91.26 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.626 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.2 m0 -29.63 -56.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.025 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 t -90.41 117.58 29.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 108.331 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.666 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.9 p90 -139.35 165.23 27.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -66.93 163.65 42.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.0 121.83 6.83 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.785 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -32.44 138.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.706 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.06 45.51 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.67 49.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.886 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.9 148.9 40.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.886 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.95 1.95 7.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.015 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.12 -20.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.06 6.96 44.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.51 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -131.61 20.49 4.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.807 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.8 mmt180 -75.44 126.41 30.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 19' ' ' VAL . 91.5 t -89.33 -2.16 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.5 t0 39.34 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -14.85 62.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.368 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.55 102.74 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 19.1 m-85 -141.74 145.59 37.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.597 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -81.07 82.6 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -91.47 137.47 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.55 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.0 p -152.22 170.23 8.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 39.16 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.87 -41.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.7 tt0 -75.94 -38.91 57.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -73.14 -28.55 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.303 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.3 m120 -90.36 -4.58 56.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.1 t30 -99.9 -41.53 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.21 -24.16 25.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.04 73.09 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 173.29 -154.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.489 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.6 m -126.15 149.26 49.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.1 t80 -115.61 173.51 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.3 t70 -176.99 142.95 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.603 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.2 p -133.65 13.92 4.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.04 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -61.48 -48.32 81.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.538 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.05 132.58 12.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -36.93 2.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.34 -46.72 2.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.015 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -86.62 171.6 9.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.533 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 92.72 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.603 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.4 m0 -32.16 -52.4 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.487 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.3 t -92.8 126.64 37.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 108.267 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.807 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -149.43 165.26 32.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.7 mtpt -68.97 163.74 53.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -74.99 122.69 7.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.794 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.1 tt -34.32 140.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.794 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.39 46.74 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.3 54.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.877 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -96.94 148.25 34.12 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.877 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 1.57 7.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.037 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.53 -20.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.39 6.78 44.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -131.2 20.43 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.815 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -76.12 126.54 31.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.3 t -90.06 -7.85 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.6 t70 55.81 109.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -19.78 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 108.26 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.66 91.38 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.586 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.3 m-85 -140.02 148.34 54.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -71.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.611 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -91.91 86.89 6.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.591 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.57 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.2 m -98.41 133.25 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.559 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.9 p -147.49 172.13 5.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.627 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 39.44 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.779 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -177.79 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.601 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.2 tt0 -71.3 -39.68 71.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.42 -38.04 74.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 108.271 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -83.9 -1.95 55.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.8 t30 -101.5 -37.83 8.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.586 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -59.22 -29.3 67.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.11 72.61 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 168.98 -158.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -119.63 152.06 37.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 108.31 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.5 t80 -115.88 173.27 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.1 t70 -179.03 142.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.0 p -133.75 16.34 3.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -49.12 78.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.583 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.48 136.8 13.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.98 -37.64 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.547 1.814 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.44 -43.55 1.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.037 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.6 169.32 11.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.554 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 92.21 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -30.83 -54.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 107.979 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -93.49 112.81 24.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.815 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.6 p90 -133.13 167.44 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.478 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -68.76 163.91 50.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 121.61 6.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.735 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.1 tt -33.18 136.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.463 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.54 44.68 1.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.54 52.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.986 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.86 150.87 41.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.986 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 1.07 8.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.437 1.756 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.013 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.36 -27.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.3 7.99 29.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -131.71 20.22 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.829 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.5 mmt180 -76.01 136.6 39.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 20' ' ' ASP . 38.7 t -96.46 -4.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.4 t0 51.12 102.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -26.57 64.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 108.345 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.46 89.07 0.11 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 6.8 m-85 -138.31 148.49 59.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -72.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.629 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -90.74 84.06 5.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.6 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -95.48 118.75 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 29' ' ' LYS . 7.8 p -129.16 169.31 13.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.63 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 38.72 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.59 -38.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.517 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.9 tt0 -77.72 -41.99 35.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -65.72 -36.62 84.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.317 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -84.33 -4.81 59.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.3 t30 -99.49 -38.97 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.589 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -58.3 -26.61 63.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.69 72.49 0.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 169.95 -158.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.1 m -121.85 150.61 41.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.7 t80 -114.16 173.28 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 23.2 t70 -179.86 141.1 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.606 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.1 p -130.83 16.26 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -51.28 70.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.592 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.71 136.74 14.62 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.05 -38.09 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.62 -45.23 1.94 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.013 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -89.35 170.76 10.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.514 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.07 93.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.606 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -33.5 -51.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.9 t -95.35 111.8 23.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 108.268 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.829 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -132.07 165.07 24.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -68.83 163.49 55.27 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.01 118.54 5.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.762 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.3 tt -32.8 130.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.72 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.92 43.75 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.77 50.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.912 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.74 149.3 41.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.912 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.81 . . . . 0.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.99 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.02 -14.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.92 2.87 52.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.681 ' HB3' HG12 ' A' ' 13' ' ' VAL . 4.6 t0 -130.15 22.77 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.807 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.7 mmt180 -74.49 138.21 43.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.0 t -97.18 -6.9 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.1 t0 51.8 101.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -22.93 61.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.98 91.71 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.1 m-85 -139.49 147.98 54.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -70.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -92.08 85.49 5.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.5 m -97.97 132.15 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.552 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -146.95 171.14 6.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 38.62 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.496 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.16 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.607 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.2 tt0 -77.42 -35.65 53.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.99 -29.38 58.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.279 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.496 HD22 ' N ' ' A' ' 29' ' ' LYS . 2.3 m-80 -89.97 -3.6 57.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 3.3 t30 -100.21 -41.01 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.593 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.42 -27.56 48.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.07 73.95 0.39 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.19 -158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -120.5 151.63 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.304 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.4 t80 -116.61 173.26 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 23.1 t70 -179.48 143.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.608 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.7 p -134.93 16.92 3.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -47.5 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.513 ' H ' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -144.15 132.17 10.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -36.06 2.74 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.71 -36.56 1.1 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.99 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -97.76 171.64 5.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.539 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 91.25 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.608 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -31.8 -53.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 108.037 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 t -92.78 112.1 23.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.332 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.807 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.9 p90 -133.4 162.74 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -66.78 163.51 42.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.99 119.64 5.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.815 HD23 ' N ' ' A' ' 53' ' ' GLN . 3.0 tt -31.63 141.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.815 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -113.5 46.15 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 108.268 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.2 53.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.93 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.13 149.65 36.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.93 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 1.53 7.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.036 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.29 -20.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.9 4.51 52.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -129.27 21.14 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.833 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.2 mmt180 -75.06 137.61 41.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.343 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.9 t -98.5 -1.46 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.464 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.7 t70 47.6 98.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -25.2 62.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 108.305 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.85 93.48 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.5 m-85 -138.11 148.27 59.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.799 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.655 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -88.26 84.02 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.1 m -93.89 138.57 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.592 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 2.7 p -150.9 172.38 5.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.87 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -177.53 -54.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.549 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -60.23 -45.65 92.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -64.24 -35.92 82.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -89.71 3.12 53.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LYS . 15.8 t30 -104.28 -36.29 7.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -26.97 68.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.93 73.1 0.22 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.39 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.5 m -123.4 151.71 42.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.2 t80 -116.39 173.73 6.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.555 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.3 t70 -179.64 144.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.0 p -134.66 14.26 3.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -58.67 -48.9 79.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.547 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.57 134.88 12.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -37.76 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.96 -43.74 1.82 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.036 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -90.55 170.89 9.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 93.73 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -33.47 -53.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 107.997 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.84 110.04 21.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.833 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -129.96 163.48 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -66.41 164.12 34.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.96 116.77 4.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.796 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.7 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.6 tt -34.27 131.95 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.443 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.3 45.91 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.9 43.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.899 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -84.68 147.82 50.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.899 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.04 4.04 5.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.973 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.18 -15.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.71 7.03 47.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.86 16.96 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.1 mmt85 -75.0 112.43 11.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 60.5 t -78.54 -7.88 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 58.06 114.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -81.49 -20.75 39.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.261 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.08 91.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 16.3 m-85 -138.21 146.6 52.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -78.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.423 1.749 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.652 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -86.04 83.62 7.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.589 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.0 m -93.83 138.68 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.7 p -152.78 170.65 7.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.98 40.99 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 27' ' ' THR . 5.5 tmtt? -178.71 -47.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.595 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -70.74 -42.89 69.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.2 -30.93 71.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.285 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -92.73 2.87 56.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 34.7 t-20 -103.53 -39.29 6.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -59.34 -31.1 68.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.57 73.51 0.18 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.89 -160.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.51 154.13 34.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.7 t80 -118.17 173.29 6.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.56 ' O ' ' CG ' ' A' ' 47' ' ' TRP . 11.1 t70 179.77 145.75 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.652 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.6 p -139.63 16.03 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -61.76 -34.91 76.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.512 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.24 132.43 6.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -38.03 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.15 -34.42 0.33 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.973 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -100.39 169.19 8.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 89.49 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 9.5 m0 -28.92 -57.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.401 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.8 t -89.97 117.36 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 108.326 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.7 p90 -139.3 165.66 26.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -68.66 164.41 45.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 124.61 8.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.773 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -34.31 137.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.684 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.39 46.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.29 55.2 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.04 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.29 152.29 42.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.04 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 2.56 6.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.766 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.42 -26.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.12 4.28 46.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -127.91 20.54 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.794 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.39 135.69 39.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 19' ' ' VAL . 53.6 t -94.81 -0.35 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.7 t70 46.47 97.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -25.17 64.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 108.277 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.98 92.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.2 m-85 -137.98 149.84 65.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 0.8 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -77.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.625 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.02 84.69 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.588 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.6 m -95.05 134.42 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.551 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -148.59 171.52 6.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 40.44 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.55 -47.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.608 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.3 tt0 -69.66 -42.05 74.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -67.9 -33.0 73.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 108.326 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.46 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -90.06 -1.8 58.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.6 t-20 -98.08 -40.1 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -30.5 68.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.47 75.37 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.32 -159.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.0 m -121.61 150.53 41.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.6 t80 -115.28 173.07 6.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.3 t70 179.51 144.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.4 p -133.4 15.43 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -51.75 67.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.807 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.32 134.86 12.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -38.06 1.78 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.513 1.797 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.94 -28.49 0.47 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.807 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -104.6 171.01 5.39 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 91.16 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.423 1.749 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -33.76 -53.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.064 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.6 t -93.91 110.34 22.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.285 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.794 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -130.42 161.03 32.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.4 mtpt -63.91 164.87 14.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.03 120.57 6.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.814 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -34.89 126.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.535 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.8 tt0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 48.64 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.266 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.68 47.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.892 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.21 147.79 45.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.892 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 1.92 7.21 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.0 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.76 -17.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.2 10.16 37.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.488 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -134.19 17.07 3.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.665 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.8 mmt85 -74.8 122.05 22.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 52.7 t -86.85 -8.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.6 t0 55.4 108.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.58 -19.8 60.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.36 89.2 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.597 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.6 m-85 -138.29 147.52 55.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -72.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 111.058 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.611 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -90.67 85.62 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -97.54 132.77 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.56 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.1 p -147.31 171.27 6.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.63 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.02 38.76 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.58 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.9 tt0 -74.98 -39.02 61.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -71.18 -36.4 71.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 108.323 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -84.72 -3.51 58.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 15.5 t30 -99.77 -39.8 8.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.597 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.97 -29.22 63.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.75 72.76 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.61 -159.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -118.43 153.17 34.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.6 t80 -118.1 172.83 7.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.548 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 8.0 t70 -177.97 144.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.633 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.3 p -134.97 14.6 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -57.79 -49.8 75.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.555 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.29 135.52 12.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 -36.87 2.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.36 -41.54 1.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.0 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.4 170.55 8.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.554 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.98 91.71 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.633 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.8 m0 -30.7 -56.81 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 107.97 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -89.52 118.68 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 108.327 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.665 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -140.89 166.09 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.5 mtpt -67.02 164.3 36.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.95 123.46 7.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.735 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -34.9 134.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.17 40.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.72 36.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.006 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -89.31 152.77 48.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.006 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.95 -56.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.043 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 158.77 -23.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 2.53 56.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -120.69 13.1 11.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 14.2 mmt85 -75.65 112.88 12.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 20' ' ' ASP . 36.0 t -72.64 -13.56 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER 59.44 114.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -8.19 59.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 108.296 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.38 83.44 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.1 t80 -149.28 145.72 19.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -79.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.692 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -65.95 96.51 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.632 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 19.1 m -126.41 124.59 65.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.35 173.25 5.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 39.73 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.768 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.69 -47.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.53 -39.52 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.8 OUTLIER -71.68 -27.43 63.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -95.7 3.73 53.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.7 t-20 -101.31 -40.36 7.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -59.4 -28.06 66.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.1 71.92 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.88 -154.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.0 m -125.37 150.47 47.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 108.312 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.645 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.6 t80 -117.91 173.63 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.3 t70 -179.13 147.17 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.63 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.8 p -139.82 14.25 2.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -40.57 89.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.683 HD13 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -152.2 134.26 8.54 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -33.77 4.32 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.22 -35.56 2.59 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.043 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.57 170.44 7.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.564 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 88.82 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.63 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -30.12 -57.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.466 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.3 t -91.26 114.0 26.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -135.57 165.65 25.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.3 mtpt -67.96 162.17 61.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 125.75 9.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.789 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -34.89 138.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.738 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -107.78 45.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 108.283 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.47 52.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.89 150.25 41.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 3.66 5.44 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.89 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.07 -23.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.449 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -89.85 8.64 31.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.946 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -132.64 19.96 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.809 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -75.89 125.97 30.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 19' ' ' VAL . 79.9 t -87.47 -1.85 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.3 t0 39.57 89.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -15.55 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.94 102.24 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 18.9 m-85 -140.67 145.93 42.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -84.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.46 1.768 . . . . 0.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.631 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -81.25 82.03 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.555 -179.953 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.9 m -90.62 136.86 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.561 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 2.7 p -150.48 171.34 6.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 40.04 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -179.55 -46.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.589 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -68.78 -44.13 74.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.516 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.92 -32.04 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 108.256 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 9.9 t30 -91.58 -1.65 57.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 2.5 t30 -95.89 -38.79 10.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -63.69 -23.0 67.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.8 75.14 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.5 -156.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.2 m -126.44 147.75 49.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 108.347 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.4 t80 -113.64 173.46 6.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.548 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.8 t70 -178.65 142.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.602 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.6 p -132.34 14.73 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -60.35 -49.63 76.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.625 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.28 133.65 14.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.456 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.39 -44.15 2.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.15 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.89 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -88.28 170.8 10.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 91.62 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.602 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.43 -52.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.475 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 5.5 t -93.03 127.06 38.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.809 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -148.88 163.88 36.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.508 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.8 mtpt -66.78 165.0 28.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 123.03 7.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.85 129.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.562 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -115.04 45.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.296 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.87 56.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.008 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -94.36 151.4 39.38 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.008 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.91 3.24 5.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.775 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 84.98 -27.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.69 6.62 33.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.493 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -130.38 20.27 5.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.793 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.93 133.27 39.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 20' ' ' ASP . 21.6 t -92.54 -3.48 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 19' ' ' VAL . 8.3 t0 50.53 101.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -24.68 61.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.95 93.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.4 m-85 -139.28 148.0 55.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -72.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.618 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -91.57 86.69 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.571 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.2 m -97.96 137.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.548 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.4 p -151.75 171.06 6.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 39.59 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.96 -45.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.6 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -70.58 -42.69 70.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -66.88 -37.13 83.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.276 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -84.12 -4.33 58.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 25.5 t30 -98.5 -38.95 8.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -58.84 -27.61 65.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.22 72.84 0.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.4 -158.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.9 150.62 40.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.5 t80 -114.83 173.03 6.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 19.3 t70 179.5 141.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.604 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.9 p -131.35 17.09 4.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.949 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.409 ' HB3' HG13 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -58.83 -52.15 66.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.804 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 135.07 13.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -37.7 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.93 -30.28 0.66 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.804 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -102.92 170.98 5.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 91.55 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.781 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.604 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -34.03 -53.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -94.3 109.18 21.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.793 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -129.03 162.86 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.2 mttt -64.41 163.53 25.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 118.92 5.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.785 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.6 tt -35.08 130.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.56 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.407 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 47.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.336 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.29 41.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.983 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.07 152.36 41.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.983 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 -58.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.023 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.25 -23.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.03 1.12 57.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.543 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -117.02 9.94 13.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.697 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.0 mmt85 -76.77 108.64 9.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' ASP . 70.4 t -75.45 -9.22 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 59.48 116.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -86.09 -21.35 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.56 92.21 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.579 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 13.7 m-85 -137.43 147.44 57.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -76.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.642 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -87.98 84.84 6.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.626 180.0 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.4 m -94.81 140.23 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.609 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.3 p -152.21 172.69 5.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 38.57 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.55 -55.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.568 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.3 tt0 -59.35 -45.04 92.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -63.66 -41.1 98.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -82.07 -2.29 51.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' LYS . 22.7 t-20 -100.97 -35.27 9.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.454 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -62.09 -25.17 67.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.964 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.73 71.02 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 170.35 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -122.75 152.76 40.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.7 t80 -116.04 173.73 6.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.6 t70 179.19 140.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.629 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.4 p -133.94 16.64 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -41.97 92.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.756 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.5 133.79 8.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.09 -33.83 4.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.23 -28.64 1.43 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.023 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.47 170.64 5.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 88.72 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.629 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.33 -56.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 107.995 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.408 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.9 t -92.08 111.94 23.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.697 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.9 p90 -132.46 165.18 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.48 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.1 mtpt -62.81 162.45 21.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.01 126.1 9.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.711 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -38.42 140.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.3 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.44 42.64 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 108.298 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.03 46.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.88 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.1 148.35 47.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.88 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 0.84 8.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.571 1.827 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.026 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.92 -18.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.514 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.26 10.13 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.504 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -134.02 16.91 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.5 mmt85 -75.59 118.12 18.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.4 t -82.79 -8.33 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 56.77 109.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -19.32 56.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.93 92.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.9 m-85 -140.37 147.44 49.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -75.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.462 1.769 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.635 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.14 83.86 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.641 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.584 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.5 m -95.26 135.29 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.549 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -149.83 171.47 6.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.91 39.28 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.28 -45.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.592 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.7 tt0 -71.8 -40.59 69.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.58 -32.47 69.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.247 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -90.41 -1.75 57.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 1.8 t30 -98.8 -41.33 7.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -29.06 64.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.92 74.85 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.17 -159.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.5 m -119.9 152.28 37.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 108.317 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.8 t80 -118.35 173.45 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.0 t70 -178.5 145.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.633 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.1 p -135.66 13.43 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -51.34 69.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.572 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.32 135.45 14.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -36.2 2.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.12 -42.44 1.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.026 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.89 170.49 8.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 109.339 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.559 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 91.46 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.797 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.633 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.42 -56.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 107.955 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -89.6 119.35 29.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.7 p90 -142.27 163.75 32.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.4 mtpt -67.22 164.23 38.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.02 124.26 8.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.766 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.2 tt -35.25 132.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.75 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 51' ' ' PRO . 1.7 pt20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.17 42.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 108.251 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.01 50.98 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.947 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.76 150.06 43.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.947 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 1.27 7.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.031 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.83 -27.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.07 10.18 20.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.529 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -133.57 19.02 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.818 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -75.66 140.43 42.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 19' ' ' VAL . 88.4 t -99.76 4.2 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.0 t70 43.52 96.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -69.58 -24.58 63.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.28 -179.956 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.72 96.02 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 16.2 m-85 -139.7 146.87 49.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -79.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.621 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -86.52 84.81 7.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.643 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.578 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.8 m -94.03 141.24 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.6 p -152.7 172.86 5.08 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.383 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 37.77 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.46 -55.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.611 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tp10 -59.01 -45.44 90.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.533 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -63.15 -42.18 99.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 108.296 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -80.1 -3.76 50.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' LYS . 21.4 t-20 -100.1 -35.07 9.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 3.1 tpt85 -61.36 -25.43 67.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.3 69.63 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 170.73 -155.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -123.64 152.75 41.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.6 t80 -115.33 174.47 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 24.7 t70 178.15 140.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -130.44 15.2 5.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -49.33 77.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.566 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.32 135.52 11.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -36.49 2.5 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.55 -41.66 1.74 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.031 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -93.64 171.67 6.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -33.71 -51.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.419 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.9 t -95.39 110.1 22.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.818 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.0 p90 -130.6 165.06 23.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.7 mtpt -71.33 165.11 51.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -74.98 119.31 5.6 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.791 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.5 tt -34.18 134.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.791 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 46.37 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.345 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.75 46.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.864 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.93 147.83 41.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.864 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 1.37 7.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.03 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.17 -19.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.47 10.65 31.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.522 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.03 16.28 3.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.669 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.2 mmt85 -76.64 112.25 13.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' ASP . 91.6 t -77.9 -4.89 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.5 t70 58.35 115.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.69 -24.07 27.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.329 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.09 99.57 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 17.9 m-85 -145.9 147.19 31.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -77.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.632 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -85.46 83.01 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.587 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 28.6 m -94.37 138.06 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.48 ' CG2' ' C ' ' A' ' 26' ' ' VAL . 4.3 p -152.36 169.36 9.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.638 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.73 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 27' ' ' THR . 7.8 tmtt? -178.04 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.2 tt0 -78.28 -40.03 38.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -72.77 -27.29 61.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 108.333 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.76 4.01 52.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 7.4 t30 -104.04 -41.89 5.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.83 -35.7 69.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.75 74.74 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 168.65 -160.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.5 m -119.42 154.07 34.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 108.308 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.638 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.7 t80 -120.41 174.52 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 12.4 t70 -177.29 145.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.613 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.3 p -135.26 13.37 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.75 -51.55 69.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.606 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 136.4 14.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.0 -36.52 2.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.51 -45.69 1.95 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.03 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.47 169.89 12.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 90.36 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.613 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -29.44 -57.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 107.998 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.409 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.4 t -89.94 116.67 28.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -138.58 164.82 28.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.3 mttt -66.26 163.41 39.37 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.01 120.65 6.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.765 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.2 tt -33.3 131.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.746 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.8 47.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.28 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.32 49.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.9 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.06 149.23 47.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.9 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 1.53 7.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.799 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.012 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.53 -21.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.498 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.62 10.8 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.521 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.68 16.98 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.676 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.2 mmt85 -75.88 116.63 16.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 87.7 t -81.58 -9.58 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.5 t70 58.21 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.77 -18.18 51.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.315 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.07 89.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.3 m-85 -139.24 147.5 53.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -70.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.499 1.789 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.617 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -91.76 86.32 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.944 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.2 m -98.52 131.12 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.58 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.6 p -144.62 172.68 5.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 39.72 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.25 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.6 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.6 tt0 -68.04 -40.9 82.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -67.46 -40.1 85.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 108.303 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 4.5 t30 -81.76 -6.77 59.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 29.0 t30 -94.7 -38.24 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.607 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.71 -26.46 65.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.01 72.24 0.31 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 171.04 -157.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.512 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -120.76 152.81 37.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.632 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.7 t80 -117.19 173.21 6.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.2 t70 -178.82 141.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.0 p -131.67 16.03 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.59 -51.43 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.578 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.25 136.38 13.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.03 -37.0 2.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.32 -41.49 1.09 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.012 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.46 170.18 8.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.555 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 91.78 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.8 m0 -30.65 -56.17 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 t -90.78 116.93 29.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.237 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.676 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -138.74 167.22 22.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -67.52 163.14 50.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.0 121.83 6.82 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.523 1.801 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.793 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.46 136.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.751 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.6 48.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 108.285 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.85 50.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.912 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.01 149.62 39.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.912 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.487 1.782 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.014 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.14 -25.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -89.31 8.49 30.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.83 21.49 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.813 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.9 mmt180 -75.78 132.91 40.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 1.9 t -90.48 -8.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.482 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.8 t0 53.96 104.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -10.31 59.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 108.273 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.53 79.04 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.621 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -145.81 146.16 27.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -77.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.694 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -67.97 97.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.575 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.7 m -126.23 124.6 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.571 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -139.54 174.34 4.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.07 38.97 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -176.97 -46.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.2 OUTLIER -69.75 -38.89 76.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -73.14 -26.64 61.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -97.11 5.01 51.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 40.4 t-20 -101.82 -40.59 6.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.621 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -60.45 -26.84 67.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 179.952 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.47 72.67 0.42 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.92 -155.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.475 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -125.81 149.36 48.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 108.298 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 76.9 t80 -117.27 174.09 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 18.0 t70 -178.64 146.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.61 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.9 p -137.08 13.71 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -48.66 80.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.559 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.92 134.73 13.06 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.445 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -36.7 2.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.74 -47.93 2.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.014 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -85.78 171.09 11.22 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 93.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.61 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.1 m0 -32.79 -54.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.8 t -93.61 112.23 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.316 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.813 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -132.54 165.22 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.485 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -68.02 163.89 46.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.485 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.02 122.88 7.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.049 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.8 tt -34.91 136.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.726 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 1.8 tt0 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 49.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.336 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.34 57.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.93 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -97.86 149.56 35.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.93 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 -0.0 9.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.024 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.13 -25.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.88 6.2 40.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.741 ' HB3' HG12 ' A' ' 13' ' ' VAL . 7.0 t0 -131.3 21.83 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.43 132.51 39.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -92.83 -9.07 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.9 t0 55.39 107.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.19 -21.23 58.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 108.278 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.52 90.64 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 6.6 m-85 -139.53 147.71 53.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -70.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.62 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -91.5 85.21 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.619 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.8 m -97.67 132.03 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.551 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.2 p -146.73 171.43 6.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.614 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.77 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.0 tmtt? -176.96 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.605 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.5 tt0 -75.55 -37.13 60.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -74.58 -30.13 61.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.271 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.422 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -89.26 -3.83 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 29.6 t30 -100.56 -40.97 7.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.608 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.27 -29.18 57.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.96 73.73 0.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.86 -159.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.472 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -119.01 152.14 36.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.312 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.2 t80 -116.33 173.06 6.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.7 t70 -179.47 142.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.625 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.9 p -132.17 14.94 4.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -51.29 70.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.589 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 137.1 14.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.05 -38.19 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.16 -43.27 1.37 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.024 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -91.52 169.43 11.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.552 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 91.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.769 . . . . 0.0 111.002 -179.935 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.87 -53.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -93.78 112.8 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.7 p90 -132.88 165.25 25.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.3 mttt -66.38 164.82 27.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.98 122.05 6.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.698 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -31.23 139.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.49 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.4 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -114.29 47.63 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 108.345 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.51 42.57 1.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.982 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.68 152.1 41.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.982 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.05 -60.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.086 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 162.93 -22.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.226 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.26 0.78 57.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.547 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -117.03 10.09 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.737 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.3 mmt85 -77.36 116.66 18.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' ASP . 17.7 t -83.3 -5.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.3 t0 57.14 114.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -22.25 26.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.66 95.73 0.05 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 14.7 m-85 -143.59 143.8 25.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.788 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.95 -71.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.43 1.753 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -88.87 83.66 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 109.581 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.58 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.2 m -97.07 139.25 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.659 ' HG1' ' H ' ' A' ' 30' ' ' GLU . 11.0 p -149.48 169.28 9.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 35.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -174.97 -47.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.659 ' H ' ' HG1' ' A' ' 27' ' ' THR . 0.4 OUTLIER -69.42 -31.86 70.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.652 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -79.45 -29.16 41.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.973 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.478 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.1 m-80 -94.42 0.64 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 39.5 t30 -103.43 -40.51 6.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -28.34 63.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 124.15 74.68 0.26 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 168.94 -158.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -122.75 154.09 38.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.326 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.9 t80 -119.55 175.63 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.1 t70 177.43 142.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.669 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.6 p -139.53 18.37 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -32.56 71.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.56 HD13 ' CG2' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -152.85 125.68 4.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.488 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -34.17 4.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.771 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.51 -30.03 1.31 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.086 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -104.47 173.37 3.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.506 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.2 Cg_endo -75.0 92.48 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.669 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -34.48 -56.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.016 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.442 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.3 t -91.85 109.6 20.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.737 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.1 p90 -130.35 164.14 25.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -60.78 162.38 12.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.49 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.96 122.44 7.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.735 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -35.63 132.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -117.18 42.78 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.76 38.36 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.971 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -91.58 152.01 43.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.971 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.03 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 159.88 -22.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 4.16 54.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.541 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -121.31 10.32 10.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.741 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.1 mmt85 -76.17 122.86 24.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.1 t -88.52 -8.74 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.7 t0 58.55 115.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.42 -25.63 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.93 90.17 0.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.4 m-85 -137.67 148.55 61.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -75.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.62 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -89.14 84.91 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 31.5 m -95.65 139.39 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.635 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.6 p -151.57 173.52 4.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.617 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 37.44 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.61 -54.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.96 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.566 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.1 tt0 -61.83 -33.73 74.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.635 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.33 -37.11 53.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.312 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.463 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -83.58 -5.36 59.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' LYS . 54.9 t-20 -100.59 -37.42 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.538 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 5.0 tpt85 -57.74 -26.1 61.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.35 71.77 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 168.17 -157.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.88 154.29 36.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 108.308 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.617 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.6 t80 -118.27 174.97 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.2 t70 178.32 140.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.634 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.4 p -136.04 18.29 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.049 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -34.82 79.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.514 ' CD1' HG22 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -154.66 131.11 5.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 -33.94 4.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.17 -38.18 2.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.03 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.05 172.09 5.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -75.01 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.634 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -33.44 -54.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.018 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.4 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.9 t -94.16 112.65 24.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 179.974 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.741 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.5 p90 -133.14 165.09 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -63.63 162.79 24.69 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 120.45 6.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.788 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.739 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -37.44 138.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.942 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.5 47.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.81 51.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.24 150.31 42.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.91 1.43 7.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.003 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.87 -27.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 -179.918 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.38 8.23 28.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.51 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.04 20.53 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.8 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -76.05 127.52 33.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.9 t -88.3 -3.43 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 39.78 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -15.86 63.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.99 100.9 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 17.5 m-85 -139.19 146.36 48.78 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.75 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -84.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.608 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -81.21 82.66 7.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.3 m -91.28 136.37 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.3 p -150.55 169.44 9.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.621 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.58 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.486 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.55 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.608 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tt0 -79.53 -37.05 37.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.41 -28.04 60.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 108.277 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.9 m-80 -91.36 -3.29 56.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.9 t-20 -100.68 -42.73 6.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.593 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.46 -24.61 20.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.69 73.82 0.51 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 172.56 -155.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.975 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.7 m -124.91 149.61 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.621 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -115.88 173.69 6.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 18.6 t70 -178.01 143.56 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.615 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.8 p -134.85 13.73 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -47.06 87.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.551 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.65 133.91 12.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 -37.02 2.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.54 -47.07 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.003 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.26 170.81 11.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 92.69 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.615 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -31.84 -52.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.979 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.475 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.0 t -93.66 127.07 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 108.303 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.8 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -149.25 164.11 35.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -65.47 163.5 32.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.02 122.16 7.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.546 1.814 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.59 133.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.621 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.409 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.16 44.18 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 108.27 179.999 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.79 40.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.976 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -90.71 152.51 44.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.976 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.05 -57.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.092 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 158.7 -21.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -1.5 54.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -115.13 11.14 16.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.723 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -76.31 115.49 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' ASP . 10.2 t -81.54 -10.56 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.9 t0 59.51 116.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.35 -27.18 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.252 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.88 90.27 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.937 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.2 m-85 -137.51 148.01 59.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.44 0.729 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -76.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.619 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -85.99 82.2 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.648 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.584 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.8 m -93.27 137.45 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.1 p -151.22 168.9 10.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.63 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.0 Cg_endo -75.09 39.91 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -178.34 -39.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.598 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tp10 -78.63 -39.89 35.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.71 -33.71 71.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 -179.998 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -87.36 -3.1 59.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.1 t30 -100.19 -41.49 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.467 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.6 -25.58 39.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.34 73.59 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.68 -157.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.971 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -121.41 151.69 39.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 76.0 t80 -117.12 173.28 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.4 t70 -179.97 144.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.631 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.5 p -137.26 14.48 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.9 -39.05 80.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.618 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -154.04 134.61 8.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -36.7 2.41 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.21 -36.47 0.91 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.092 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.95 170.79 6.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 90.84 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.631 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -31.75 -55.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.61 111.33 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.32 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.723 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -131.92 164.8 25.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.9 mtpt -62.53 162.86 17.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.96 124.88 8.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.056 179.949 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.801 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -37.53 128.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.503 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 52' ' ' LEU . 5.0 pt20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.434 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -107.86 40.6 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.307 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.13 55.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.98 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.91 150.63 38.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.98 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -0.91 10.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.052 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.28 -25.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -89.0 8.08 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.729 ' HB3' HG12 ' A' ' 13' ' ' VAL . 9.3 t0 -134.14 22.39 3.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.818 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -75.73 140.72 42.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.7 t -97.48 -2.4 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.462 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 46.9 97.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -22.23 64.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.91 93.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.9 m-85 -139.59 148.99 58.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -74.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.811 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.626 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.59 86.12 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.0 m -97.3 132.96 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.55 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.6 p -146.41 171.64 6.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 40.12 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.92 -48.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.608 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -68.62 -42.73 77.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -66.53 -35.14 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 108.278 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -87.85 -1.8 58.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.9 t-20 -98.94 -38.95 8.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -60.45 -28.83 68.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.98 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.96 74.69 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.81 -159.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -121.22 151.13 40.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 108.304 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.0 t80 -115.52 173.86 6.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.558 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.5 t70 179.33 143.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.624 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.5 p -134.0 14.83 3.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -47.39 85.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.319 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.505 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.22 133.48 10.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -37.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.64 -39.6 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.052 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -95.09 171.83 6.12 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.95 92.93 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.453 1.765 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -33.46 -51.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.997 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.96 110.76 22.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 108.3 -179.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.818 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.0 p90 -131.27 163.11 28.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -68.24 164.24 44.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.939 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.93 118.18 5.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.821 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.751 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.6 tt -32.11 125.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.662 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.63 45.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.245 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.18 48.22 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.92 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.47 149.96 45.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.92 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 2.96 6.03 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.842 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.41 -27.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.85 9.83 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.17 20.05 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.814 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.1 mmt180 -76.63 131.75 39.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ASP . 46.9 t -88.58 -5.34 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t0 52.38 102.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -9.04 56.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 108.321 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.83 80.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.604 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -147.83 143.76 18.21 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.545 0.791 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.01 -80.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -62.41 94.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.968 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 26.7 m -127.0 124.99 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.58 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 0.7 OUTLIER -139.32 174.58 3.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.984 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.626 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.92 37.16 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.4 -44.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -72.24 -32.64 66.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -80.57 -27.08 37.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 179.999 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.517 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.6 m-80 -94.9 1.67 55.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 2.4 t30 -101.9 -40.92 6.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.604 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.07 -23.94 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 179.996 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.96 75.74 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.08 -154.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 12.0 m -127.21 149.16 50.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 -179.992 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.626 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.6 t80 -116.67 174.47 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.3 t70 179.12 144.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.624 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -135.67 15.83 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.33 -47.92 80.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.64 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.49 132.83 13.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.952 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 -37.87 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.37 -42.66 2.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.842 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -89.1 171.04 9.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.495 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.99 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.0 m0 -34.44 -53.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.03 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.435 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.9 t -94.82 112.13 23.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.322 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.814 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.7 p90 -131.65 168.88 16.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.514 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.3 mtpt -73.31 164.76 58.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.93 123.82 8.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.456 1.766 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.785 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -34.34 134.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.753 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.83 46.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.7 52.81 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.01 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.02 151.46 45.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.01 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.05 1.37 7.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.018 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.87 -27.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 8.57 25.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.509 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -132.15 19.72 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.817 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.0 139.99 41.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 19' ' ' VAL . 59.0 t -99.9 -1.72 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.3 t0 47.68 98.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -24.94 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.53 92.98 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.115 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.0 m-85 -138.75 149.67 62.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -76.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.617 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -88.81 84.75 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.618 179.995 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.9 m -94.64 128.96 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.52 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 7.3 p -142.0 169.26 11.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.96 38.97 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -176.57 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.566 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tp10 -78.75 -38.8 37.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -71.49 -31.52 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.46 HD22 ' N ' ' A' ' 29' ' ' LYS . 2.3 m-80 -87.3 -6.61 58.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.7 t-20 -99.7 -40.81 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.554 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 5.2 tpt180 -54.79 -27.08 38.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.82 73.23 0.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 168.38 -159.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.996 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.4 m -119.54 151.36 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.4 t80 -115.8 173.57 6.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.8 t70 179.91 143.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.608 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.6 p -133.68 15.22 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -58.83 -48.6 80.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.533 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.82 134.87 11.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.444 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 -37.46 2.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.23 -41.84 1.57 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.018 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.72 171.59 7.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.02 93.24 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.449 1.762 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.608 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -33.68 -52.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.013 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -95.09 110.59 22.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.288 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.817 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -130.79 163.28 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.9 mtpt -66.37 164.4 31.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 117.07 4.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.436 1.756 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.818 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -32.22 129.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.604 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -111.18 44.56 1.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.92 56.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.993 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -97.12 151.13 37.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.993 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 2.96 6.05 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.746 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.09 -26.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.92 7.69 29.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -132.36 21.23 4.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.787 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -76.55 135.62 39.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.957 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.8 t -93.54 -3.73 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.3 t70 49.2 98.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.6 -28.72 66.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 179.96 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.55 91.4 0.11 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.575 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.0 m-85 -137.09 148.14 61.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -75.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.645 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -89.08 84.79 6.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.986 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.575 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.8 m -94.98 139.24 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.632 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.7 p -152.5 173.17 4.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.507 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 37.72 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' N ' HD22 ' A' ' 32' ' ' ASN . 1.7 tmmm? -177.13 -53.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.469 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.4 tt0 -62.84 -34.86 78.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.632 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -76.74 -36.1 57.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.983 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.53 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.1 m-80 -87.86 1.32 54.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' LYS . 19.8 t-20 -104.15 -37.53 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -28.73 68.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.24 -179.952 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 124.82 73.52 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.13 -158.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.964 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 m -121.15 153.11 37.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 77.4 t80 -116.63 174.7 5.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 12.9 t70 176.72 141.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.635 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.7 p -134.48 18.19 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -62.96 -44.55 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.999 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.721 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.36 131.07 9.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.0 -38.03 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.557 1.82 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.63 -28.09 0.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.445 1.09 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.746 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.71 171.27 5.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.33 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.797 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.635 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -34.96 -53.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.019 -179.989 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -94.18 109.03 20.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 108.297 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.787 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.5 p90 -128.96 163.46 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -65.61 162.69 40.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.98 117.45 4.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.747 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.6 tt -33.2 130.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.954 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.721 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.7 45.52 1.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.31 -179.978 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.46 53.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.995 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.95 151.4 41.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.995 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 1.18 8.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.015 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.79 -27.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.93 5.85 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -129.58 20.55 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.802 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -76.47 133.31 39.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.56 -8.04 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.462 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 54.63 105.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -11.71 60.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 108.253 -179.956 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.5 80.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.137 . . . . 0.0 111.045 -179.951 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.682 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -146.36 146.4 27.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 0.0 111.008 -179.963 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.483 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.0 -87.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.427 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -56.61 85.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 -179.947 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.534 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.1 m -115.12 120.75 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -138.93 173.13 5.52 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 35.3 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -172.79 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.88 -36.07 56.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.525 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.61 -25.2 49.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.466 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.2 m120 -96.36 -0.1 49.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 11.6 t30 -97.89 -45.73 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.682 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -53.56 -35.2 60.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.23 71.96 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.8 -157.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.8 m -122.75 148.45 45.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.271 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.8 t80 -116.74 174.36 6.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.2 t70 -179.83 146.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.622 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.3 p -138.57 13.62 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -60.4 -45.92 91.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.235 -179.98 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.554 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -144.77 134.33 11.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.453 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -36.47 2.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.528 1.804 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.49 -46.78 2.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.015 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.84 170.9 11.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 92.65 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.813 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.622 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -32.24 -54.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.2 t -93.55 112.74 24.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.325 179.961 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.802 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -132.37 166.28 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.522 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.2 mttt -68.63 164.72 42.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.07 122.37 7.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.445 1.761 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.768 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.6 tt -33.21 135.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.572 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.5 pt20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.88 45.39 1.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 108.297 179.95 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.8 52.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.81 150.12 38.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.045 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.14 -28.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.48 10.32 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.513 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -133.66 19.22 3.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.823 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.41 134.88 39.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 48.4 t -94.79 -4.63 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 52.85 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -23.32 56.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.302 179.967 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.23 94.16 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 m-85 -139.02 147.9 55.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -76.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.67 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -88.36 83.84 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 -179.998 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.1 m -93.42 138.16 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.626 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.0 p -152.54 172.87 5.05 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.511 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.03 38.43 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.48 -52.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.596 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.9 tt0 -64.14 -34.58 78.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.626 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.76 -31.39 51.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 108.263 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.556 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.4 m-80 -92.22 0.87 57.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' LYS . 34.7 t30 -102.75 -40.35 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -28.25 63.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.07 73.85 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.095 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.96 -157.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.971 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.4 m -123.42 152.67 41.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.552 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 79.5 t80 -117.44 174.3 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.4 t70 177.92 140.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.622 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.9 p -132.26 15.7 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 -179.928 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -59.49 -48.51 81.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.96 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.567 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.0 135.84 12.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.99 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -37.56 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.555 1.819 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.63 -44.35 1.78 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.045 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -90.43 170.48 10.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 92.97 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.622 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -32.31 -53.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 t -94.28 110.8 22.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.823 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -130.64 162.94 28.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 26.3 mtpt -66.8 165.15 27.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.05 120.13 5.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.429 1.752 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.781 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.3 tt -33.2 139.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.781 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.86 46.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.259 179.973 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.02 54.95 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.998 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.51 151.35 40.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.961 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.998 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.97 2.36 6.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.946 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.03 -27.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.02 5.33 41.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -129.08 20.51 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.803 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -76.34 136.14 39.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.8 t -93.29 -5.45 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.9 t0 52.5 102.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.941 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -10.9 60.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.303 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.66 77.08 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -143.43 145.94 33.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 111.015 179.959 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -78.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.686 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.62 97.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.59 179.982 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.3 m -126.1 123.87 64.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.561 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -138.43 174.07 4.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.432 179.933 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.644 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 39.51 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.432 1.754 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.0 OUTLIER -178.05 -47.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.1 OUTLIER -69.18 -40.88 77.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -68.18 -28.37 67.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 108.331 -179.966 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 18.3 t30 -95.67 1.98 53.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -94.45 -39.31 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -63.88 -24.29 67.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.84 71.23 0.51 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.112 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.7 -154.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.2 m -127.81 148.09 50.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.4 t80 -115.57 174.15 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.9 t70 -179.67 145.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.2 p -134.44 13.27 3.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 ttt85 -58.85 -53.71 55.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.641 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -138.64 135.79 18.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -37.32 2.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.41 1.742 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.72 -47.94 3.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.946 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -84.53 170.77 12.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 93.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.562 1.822 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.0 m0 -34.46 -53.35 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 7.2 t -95.08 109.3 21.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 108.315 179.998 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.803 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -128.51 165.46 20.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -67.34 163.56 45.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.486 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -74.99 118.87 5.42 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.786 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -34.3 130.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.567 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' A' ' 10' ' ' GLN . 5.6 mm-40 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.53 47.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.72 48.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.872 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.94 148.58 39.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.872 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.95 0.19 9.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.003 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.37 -23.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 12.28 21.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.54 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -135.22 16.06 3.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.671 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 10.0 mmt85 -76.26 114.53 15.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.927 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 89.6 t -78.62 -7.92 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.449 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.3 t0 58.47 115.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.491 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -84.12 -19.1 34.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.998 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.16 91.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 15.0 m-85 -136.84 145.89 52.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 111.046 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -77.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.459 1.768 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.652 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -85.96 82.49 8.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.976 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.3 m -92.45 138.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.3 p -151.36 172.67 5.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.04 39.36 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -178.88 -55.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.604 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.1 tt0 -59.5 -45.88 90.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -61.68 -37.49 84.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.334 179.989 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 13.7 t30 -89.2 1.53 55.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' LYS . 53.5 t-20 -98.75 -35.96 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -64.38 -28.61 69.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.82 71.41 0.18 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 172.83 -157.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.965 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -123.46 154.03 39.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.6 t80 -117.7 173.87 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.0 t70 -178.18 141.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.611 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.1 p -132.5 16.31 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -60.58 -49.78 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.569 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.44 135.73 12.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -36.82 2.33 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.468 1.773 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.46 -41.12 1.07 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.003 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.09 169.93 9.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.03 90.31 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.611 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.24 -57.13 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.409 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.7 t -89.97 117.68 28.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.671 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 8.4 p90 -139.87 165.51 27.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.2 mttt -67.17 163.21 47.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 123.56 7.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -34.77 131.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.542 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 2.6 pt20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.447 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -117.01 47.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.277 -179.997 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.35 45.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.855 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.14 146.64 43.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.855 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -0.36 9.87 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.082 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.41 -15.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.72 6.39 48.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.672 ' HB3' HG12 ' A' ' 13' ' ' VAL . 3.4 t70 -132.68 20.03 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.645 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.54 120.55 21.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 91.6 t -83.14 -11.0 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.469 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.4 t0 58.53 115.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.38 -19.87 45.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 108.246 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 66.99 90.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.5 m-85 -140.17 146.86 47.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -69.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.628 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -91.45 84.38 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 179.994 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.5 m -97.27 133.25 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.537 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -148.51 170.25 7.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.05 38.46 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -176.68 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.605 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.0 tt0 -80.49 -36.45 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.45 -31.79 60.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.252 -179.96 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.648 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.1 p30 -87.86 -3.1 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 24.0 t30 -100.97 -40.5 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.607 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.7 -28.69 57.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.27 73.64 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.5 -158.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.969 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.79 152.72 36.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.3 t80 -118.41 173.54 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.553 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.9 t70 -178.11 143.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.625 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.6 p -134.15 15.12 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -50.9 72.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.602 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.77 137.0 13.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.07 -37.05 2.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.95 -43.38 1.29 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.082 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.95 169.28 11.34 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 0.794 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 90.84 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.538 1.809 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.9 m0 -29.49 -55.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.2 118.81 30.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 108.286 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.645 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -140.93 168.16 20.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.5 mttt -71.43 164.07 60.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 125.72 9.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.787 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.706 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.0 tt -33.75 142.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.99 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.531 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.7 tt0 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.38 47.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 -179.942 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.89 46.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.943 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.898 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.43 147.63 47.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.961 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.898 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.06 1.98 7.17 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.988 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.42 -17.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.26 9.34 40.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.517 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.13 18.38 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.659 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.1 mmt85 -75.29 119.99 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 20' ' ' ASP . 47.6 t -79.96 -9.41 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.499 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.7 t0 54.93 106.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -9.46 58.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 179.967 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.91 86.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.609 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -150.32 147.43 21.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.94 -80.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.709 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.57 97.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.53 -179.975 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.2 m -125.4 123.69 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.587 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -139.12 176.64 2.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.64 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.97 35.93 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -177.01 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 0.4 OUTLIER -68.43 -37.51 80.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.548 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -73.5 -27.44 61.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 20.9 t-20 -94.98 1.58 55.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -93.0 -39.52 11.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -63.03 -25.77 68.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.83 70.82 0.47 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.75 -154.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.965 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.0 m -125.86 150.18 48.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 108.304 179.988 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.64 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.3 t80 -117.81 173.86 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.568 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.8 t70 -175.72 147.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.603 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.0 p -137.48 11.88 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.984 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -59.74 -52.11 66.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.571 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.75 134.23 14.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.475 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -36.05 2.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.94 -46.12 2.26 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.988 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.14 171.25 10.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 90.4 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.603 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.2 m0 -30.33 -57.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 179.998 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.45 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.5 t -89.54 120.46 30.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.293 179.984 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.659 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.6 p90 -142.71 166.98 23.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 19.5 mtpt -70.52 165.93 40.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.93 128.14 11.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.437 1.756 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.723 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -36.4 137.13 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 4.2 pt20 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.426 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 2.3 m -116.3 47.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 -179.949 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.32 51.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.963 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.69 150.75 41.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.963 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 2.96 6.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.883 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.83 -27.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.81 5.76 38.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.519 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -130.21 21.15 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.799 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -76.57 130.88 38.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' ASP . 4.3 t -87.53 -7.09 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t0 54.14 105.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -11.67 60.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.286 -179.975 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.15 76.29 0.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.159 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -143.34 144.88 29.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.985 -179.96 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -79.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.695 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -64.65 96.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.619 179.954 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.51 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.9 m -126.38 125.8 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.57 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.74 173.17 5.35 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 -179.966 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.644 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 39.94 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.01 -47.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.36 -40.44 74.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.4 -28.32 64.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 108.311 179.998 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -93.88 -1.29 55.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -96.26 -41.26 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.606 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.53 -23.36 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.91 72.91 0.61 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.16 -153.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 13.8 m -127.53 147.55 50.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.269 179.998 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.0 t80 -116.22 174.31 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.0 t70 178.98 144.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.624 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.8 p -135.8 16.43 3.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -47.77 77.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.63 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -141.33 133.3 13.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.96 -38.41 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.47 -44.58 2.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.883 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -87.26 170.3 12.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 92.7 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.3 m0 -33.55 -53.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.015 179.959 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.488 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.9 t -95.15 110.57 22.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 108.33 -179.995 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.799 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -129.34 168.83 15.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.947 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -71.03 162.94 69.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.97 120.02 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.765 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.5 tt -34.69 135.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.723 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.2 mt-30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.84 46.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 108.292 -179.98 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.68 46.74 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.934 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.87 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.56 147.89 38.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.87 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 -0.42 9.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.02 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 91.14 -23.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.97 9.93 31.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.538 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -133.3 17.34 4.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.4 mmt85 -75.77 119.83 20.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -83.7 -9.55 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 59.47 119.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.2 -20.41 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.58 90.73 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.4 m-85 -139.76 147.62 52.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.626 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -91.62 85.76 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.595 -179.972 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.4 m -97.85 128.24 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.7 p -141.53 170.42 9.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.5 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.74 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.613 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -78.11 -37.02 47.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.982 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.534 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -73.94 -29.52 62.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 179.971 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.471 HD22 ' N ' ' A' ' 29' ' ' LYS . 2.1 m-80 -90.02 -3.56 57.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 28.7 t30 -101.06 -40.68 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.588 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.23 -27.05 43.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.71 72.97 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.53 -158.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.97 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.06 153.59 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.8 t80 -118.56 173.87 6.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.1 t70 -178.39 144.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.6 p -135.99 15.54 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -48.14 82.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.603 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.82 137.11 12.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 -37.46 2.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.45 -45.78 1.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.02 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -89.4 169.03 13.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.355 179.973 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 91.04 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.26 -55.99 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.05 118.31 30.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.998 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 9.1 p90 -140.48 167.98 20.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -71.65 163.0 69.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.01 124.56 8.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.547 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.6 tt -31.49 136.52 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.4 mt-30 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.26 43.34 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.87 53.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.991 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.0 151.08 40.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.991 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 1.16 8.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.013 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.12 -26.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.57 6.99 35.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -131.04 20.92 4.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.819 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.3 mmt180 -76.16 138.08 40.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 19' ' ' VAL . 69.3 t -96.68 -3.66 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.466 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 7.3 t0 49.69 99.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.19 -24.68 62.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.52 93.48 0.05 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.064 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.4 m-85 -138.07 147.39 55.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.538 0.787 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.626 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -89.82 84.09 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.634 179.933 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 21.8 m -94.1 139.06 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.644 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.9 p -151.44 173.65 4.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.633 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 36.22 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.8 tmtm? -177.6 -53.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.543 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -61.83 -32.26 72.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.644 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -78.35 -39.98 37.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 108.319 -179.973 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.65 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.2 p30 -85.1 1.66 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LYS . 5.0 t30 -105.42 -36.5 7.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -25.44 66.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 123.8 70.6 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 169.83 -156.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 180.0 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.2 m -123.33 153.6 40.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.633 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.4 t80 -117.45 174.26 6.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.2 t70 179.81 141.16 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.609 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.5 p -130.2 13.81 5.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -53.31 59.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.621 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.91 137.45 16.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.94 -38.08 1.78 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.039 179.962 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.15 -46.57 1.89 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.013 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.84 170.8 10.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 93.93 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -33.69 -51.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.954 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 t -95.31 111.7 23.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 -179.988 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.819 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -132.18 162.21 31.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.3 mtpt -66.37 164.96 26.52 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.04 120.07 5.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.464 1.77 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.764 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.3 tt -35.35 125.54 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.659 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 4.7 tt0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.59 47.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 108.291 -179.999 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.29 55.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.004 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.32 151.52 40.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.004 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 1.91 7.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.809 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.015 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.73 -27.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 3.92 46.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.506 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -128.1 21.58 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.801 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -77.07 135.21 38.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 1.6 t -94.15 -8.16 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.0 t0 54.65 105.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -13.47 61.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.75 78.54 0.12 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.694 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -145.52 146.78 30.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.971 -179.969 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.02 -86.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.99 85.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.958 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.547 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.6 m -113.85 118.92 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.559 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -137.57 173.09 5.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.965 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.649 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 37.0 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.757 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.0 tmtm? -174.5 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 3.3 tt0 -77.18 -37.52 53.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.958 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.93 -27.85 60.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.931 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -94.11 -1.47 54.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.8 t30 -95.02 -44.95 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.694 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.5 -34.97 62.6 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.48 69.99 0.19 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.98 -157.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.97 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.1 m -122.44 147.94 45.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.247 -179.948 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.649 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.1 t80 -116.66 173.51 6.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.6 t70 -178.63 148.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 86.3 p -138.51 13.77 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -49.54 77.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.566 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -141.81 135.05 14.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.967 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.35 -46.64 2.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.015 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.43 170.43 12.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.525 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 92.87 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -32.6 -54.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.014 179.97 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.4 t -93.67 111.03 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 -179.999 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.801 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -130.68 165.59 22.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -67.57 164.78 35.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.0 121.72 6.76 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.788 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.3 tt -34.94 128.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.0 47.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 108.289 179.985 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.25 40.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.992 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.02 153.09 43.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.992 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 -59.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.009 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.16 -23.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 0.87 57.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -118.29 12.04 13.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.757 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.8 mmt85 -76.85 106.04 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.5 t -66.53 -12.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.52 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 51.2 t0 60.01 116.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -14.59 56.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 108.341 179.986 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.91 70.15 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -137.61 143.64 41.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.561 0.801 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.1 Cg_endo -75.03 -81.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.734 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -64.08 96.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.637 179.971 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' A' ' 48' ' ' CYS . 18.6 m -126.17 136.33 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.634 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 10.1 p -143.36 170.92 7.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.06 36.09 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.97 -48.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.503 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 3.1 tp10 -67.78 -29.92 69.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.634 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -81.45 -28.74 34.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.995 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.74 3.0 56.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -104.07 -36.2 7.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.58 -27.47 68.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.73 70.73 0.27 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.134 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.96 -155.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.991 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -126.4 154.55 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.659 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 61.5 t80 -120.68 175.09 6.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.582 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 7.9 t70 179.3 143.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.647 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -135.95 15.42 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.15 -40.27 97.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.725 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.2 130.45 6.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -29.72 7.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.51 -28.23 4.76 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.946 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.009 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -104.76 172.07 4.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.04 88.77 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.647 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.1 m0 -31.49 -55.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.986 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.563 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.8 t -93.47 110.29 21.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.342 179.987 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.757 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.8 p90 -131.28 165.8 22.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.6 mttt -63.62 161.85 32.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.436 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.96 125.42 9.34 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.742 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -37.37 130.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.976 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.78 47.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 179.985 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.77 51.23 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.922 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.89 149.75 40.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.985 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.922 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.95 1.79 7.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.02 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.8 -25.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.94 10.14 22.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.24 20.11 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.796 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -75.79 126.09 30.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' ASP . 43.7 t -87.34 -3.35 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.482 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 3.1 t70 39.85 91.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -16.22 64.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.996 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.91 103.07 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 19.2 m-85 -142.07 145.23 35.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -82.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.609 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -82.17 83.17 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.657 179.98 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.7 m -92.33 138.76 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.546 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.1 p -152.57 170.01 8.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 39.34 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.92 -43.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.609 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.7 tt0 -73.61 -42.2 61.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.8 -34.42 76.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.29 -179.979 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -86.35 -4.66 59.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 19.8 t-20 -98.46 -39.95 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -58.17 -23.28 54.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.47 73.16 0.5 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 172.79 -155.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.996 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -125.59 149.06 48.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.632 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.6 t80 -115.4 173.66 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.55 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.1 t70 -177.66 141.73 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.594 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.7 p -132.38 14.87 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -49.44 77.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.06 134.07 13.52 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -36.04 2.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.16 -46.89 3.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.02 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.73 171.14 10.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.542 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 92.34 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.594 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.47 -52.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.989 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.463 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.5 t -93.69 126.97 39.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 108.328 -179.982 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.796 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -149.2 164.5 34.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -65.63 163.6 33.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.0 122.84 7.46 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.789 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.3 tt -35.04 129.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.477 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -106.39 43.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.967 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.6 44.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.021 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -96.49 157.24 35.73 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.021 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -59.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.87 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.0 -25.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 -8.13 52.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.457 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -109.29 14.37 23.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.796 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 3.5 mmt180 -77.49 104.62 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.435 HG11 ' HE3' ' A' ' 50' ' ' LYS . 2.8 t -62.33 -14.3 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 64.9 t0 59.79 115.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.58 -10.11 59.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 108.328 -179.994 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.96 70.54 0.89 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -136.68 144.08 45.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -81.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.711 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.87 97.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.563 -179.977 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 48' ' ' CYS . 21.4 m -126.75 134.59 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.721 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 11.6 p -142.76 169.36 10.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.652 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.02 36.54 0.44 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.31 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.512 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.34 -26.91 62.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.721 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -82.01 -28.87 32.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.325 179.986 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.427 HD22 ' CA ' ' A' ' 29' ' ' LYS . 2.0 m-80 -92.44 4.73 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -103.76 -35.14 8.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.63 -28.21 69.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.981 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.46 70.84 0.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.045 -179.953 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.32 -155.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -126.08 155.54 41.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 65.0 t80 -120.97 175.21 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 24.1 t70 178.43 143.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.644 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.7 p -134.36 13.71 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -43.46 95.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.852 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -148.39 131.52 8.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 -35.48 3.13 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.09 -25.45 1.05 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.87 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.46 171.37 4.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 0.0 109.285 -179.931 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 89.46 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.644 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.7 -53.91 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 108.022 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.534 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.4 t -94.59 109.09 21.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 108.328 179.947 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.796 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 3.7 p90 -129.47 165.89 20.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 6.0 mttt -65.18 161.5 48.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.96 123.69 8.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.797 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.3 tt -38.19 127.86 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.464 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.924 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.9 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 49.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.326 179.983 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.74 50.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.91 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.29 148.68 41.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.91 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 0.73 8.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.003 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.82 -21.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.7 12.53 23.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -136.11 16.59 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.674 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.0 mmt85 -75.85 118.96 19.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.6 t -82.27 -9.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 57.23 110.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -19.6 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 108.316 179.988 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.2 93.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.8 m-85 -139.54 147.05 50.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -73.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -89.48 85.62 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.618 179.959 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.564 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 21.5 m -96.5 139.11 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.608 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.2 p -151.53 172.92 4.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 38.35 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.11 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.599 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -60.08 -44.16 94.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -65.07 -41.14 95.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 180.0 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -82.0 -2.45 51.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.358 179.977 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LYS . 49.5 t-20 -101.09 -36.06 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.54 -27.07 67.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 -179.99 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.2 70.55 0.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 169.95 -157.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -179.955 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -121.14 154.13 36.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.282 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.7 t80 -118.34 174.74 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.8 t70 -178.68 142.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.61 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.5 p -133.85 15.83 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -49.21 78.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.572 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.94 135.07 11.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.99 -35.5 3.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.41 -42.81 1.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.003 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.69 170.89 8.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.55 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 91.87 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.61 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.2 m0 -31.02 -56.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 107.988 -179.973 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.4 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.0 t -89.92 118.44 29.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 108.264 179.984 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.674 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.4 p90 -140.65 165.32 27.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.939 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.517 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.1 mtpt -67.27 165.02 31.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -74.97 126.78 10.21 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -35.55 144.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 52' ' ' LEU . 4.3 pt20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.7 OUTLIER -113.32 44.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.321 179.985 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.65 42.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.902 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.02 147.66 58.42 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.902 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 2.36 6.71 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.07 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.33 -18.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.509 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.3 11.0 31.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.5 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.11 17.24 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.665 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.5 mmt85 -76.02 119.01 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 55.4 t -82.85 -8.1 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.447 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.1 t0 57.45 112.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -21.66 40.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 108.279 -179.958 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 68.83 93.11 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.8 m-85 -138.42 146.74 52.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -78.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.67 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -85.64 81.53 8.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.582 -179.98 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 19.7 m -90.35 140.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.623 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.9 p -152.59 173.2 4.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 37.01 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -177.76 -53.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.6 tt0 -62.0 -33.76 74.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.623 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.72 -38.17 47.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.645 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.8 p30 -88.89 5.65 42.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LYS . 11.6 t30 -107.78 -38.07 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.95 -27.43 66.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 127.02 72.13 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 -179.981 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 168.94 -157.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.98 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.7 m -122.39 155.2 36.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.953 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.2 t80 -120.13 174.51 6.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.1 t70 -178.22 145.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.634 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.7 p -134.73 12.4 3.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 -179.974 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -51.63 68.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.621 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.7 137.06 13.32 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.92 -35.95 2.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.51 -42.94 1.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.07 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.36 169.99 9.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 90.64 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.634 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.2 m0 -29.81 -56.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 108.032 179.993 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 t -89.78 118.74 29.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.323 179.968 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.665 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.1 p90 -141.6 166.76 23.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.5 mttt -71.64 164.08 60.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.03 124.59 8.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.2 tt -32.9 141.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.797 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 179.939 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.95 46.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.312 179.968 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.03 43.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.851 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.86 147.37 45.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.851 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.97 -0.52 10.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.087 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.45 -18.28 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.516 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.81 7.53 45.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.715 ' HB3' HG12 ' A' ' 13' ' ' VAL . 3.8 t70 -133.05 19.41 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.678 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 9.0 mmt85 -76.22 99.23 4.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' ASP . 39.1 t -63.14 -15.46 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.3 t0 56.11 112.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.43 -15.67 42.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 108.279 -179.995 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.13 102.78 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 20.3 m-85 -141.99 145.27 35.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -85.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.618 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -79.3 81.06 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.592 179.987 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 19.8 m -89.58 137.59 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.567 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.7 p -151.74 171.58 6.41 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 40.07 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -179.86 -46.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -68.8 -43.34 75.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -66.19 -31.98 73.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.995 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 14.0 t30 -92.4 -0.53 57.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 11.3 t-20 -96.56 -39.38 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.23 -24.7 67.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.59 75.09 0.44 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.44 -159.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -123.28 149.45 44.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.8 t80 -115.58 173.7 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.556 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 2.1 t70 -177.65 142.84 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.8 p -132.88 12.01 4.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -50.45 72.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.635 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.35 136.54 13.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.96 -35.72 3.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.36 -46.48 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.087 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.48 170.06 12.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.592 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 89.54 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -27.89 -56.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.966 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.6 t -89.21 128.36 35.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 108.249 -179.965 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 8.3 p90 -151.44 163.6 38.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 19.7 mtpt -65.63 164.97 21.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.06 123.37 7.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.786 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -34.07 125.97 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.589 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.453 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.08 45.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.976 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.57 45.86 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.896 HG12 ' HB3' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -100.04 149.87 36.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.716 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.027 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.16 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 179.976 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.44 6.38 47.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.896 ' HB3' HG12 ' A' ' 13' ' ' VAL . 12.3 t0 -123.92 11.25 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.6 mmt85 -76.56 114.42 15.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -80.48 -10.67 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 59.1 117.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.31 -21.34 29.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.19 91.19 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CE1' ' HG2' ' A' ' 34' ' ' ARG . 9.2 m-85 -138.76 148.99 60.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -73.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.6 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -91.31 87.45 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.617 -179.999 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.2 m -99.15 137.33 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.574 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.5 p -150.69 172.01 5.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 39.02 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.73 -48.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.6 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.2 tt0 -69.12 -41.06 77.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -68.44 -40.5 81.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.98 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -81.09 -4.42 55.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 20.0 t30 -100.56 -37.86 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.589 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 4.1 tpt85 -58.56 -26.73 63.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.8 72.11 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.19 -158.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.963 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -119.88 152.13 37.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.9 t80 -116.19 173.37 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.3 t70 179.5 139.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.8 p -132.2 17.45 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.097 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -59.78 -43.85 94.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.792 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -150.3 133.82 8.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -75.02 -30.62 6.93 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.33 -30.95 4.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.027 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -103.96 171.78 4.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.956 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.548 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 89.98 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.7 m0 -31.26 -56.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 107.99 -179.993 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -92.58 113.15 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.987 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.3 p90 -133.39 166.12 23.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -62.11 164.06 11.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.529 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.95 123.54 7.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.529 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -30.62 127.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 5.5 pt20 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -114.14 43.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 -179.963 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.19 47.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.899 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.03 148.83 46.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.899 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 0.81 8.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.049 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.82 -15.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.45 3.77 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.653 ' HB3' HG12 ' A' ' 13' ' ' VAL . 5.5 t0 -132.02 23.57 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -74.94 128.76 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.461 HG11 ' HD3' ' A' ' 50' ' ' LYS . 39.8 t -84.24 -7.74 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 59.4 t0 52.27 104.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -10.99 60.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.985 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.82 81.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.685 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -145.89 146.83 30.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.75 . . . . 0.0 111.036 179.977 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.99 -87.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.07 86.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.612 -179.975 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.536 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.8 m -115.87 119.22 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.548 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -137.93 172.88 6.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.03 36.59 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -174.39 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -78.9 -36.5 41.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -76.55 -27.8 56.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.244 -179.946 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -94.96 2.61 55.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.239 -179.943 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.8 t-20 -99.9 -44.36 6.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.685 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.59 -35.15 65.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.08 71.45 0.17 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 -157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.975 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 22.4 m -122.98 147.48 46.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.1 t80 -115.12 173.82 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 2.4 t70 179.46 143.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.642 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.9 p -135.99 18.46 3.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -66.25 -45.27 81.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.493 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.83 132.54 11.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 -37.49 2.01 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.04 -41.71 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.049 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.31 170.08 9.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 91.75 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.642 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -31.49 -53.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 108.0 -179.969 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.9 t -94.49 111.2 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 108.331 179.941 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.6 p90 -131.48 166.3 21.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 18.8 mtpt -72.36 165.88 46.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.08 122.83 7.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.798 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.5 tt -34.14 138.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.798 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.63 47.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.14 45.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.921 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.04 148.05 59.38 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.921 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 3.21 5.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.8 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.99 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.99 -18.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.11 11.08 31.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -135.01 16.41 3.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.669 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 8.7 mmt85 -76.35 109.17 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 t -75.22 -7.02 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.4 t70 58.29 115.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.22 -22.15 28.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 108.317 179.977 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.22 98.27 0.04 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.96 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 17.9 m-85 -145.07 144.97 25.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.667 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -91.03 85.84 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.591 179.992 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.5 m -98.86 137.94 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 1.7 p -146.84 169.69 9.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.657 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 41.56 0.76 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -179.34 -50.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 30' ' ' GLU . 10.1 tm-20 -65.28 -46.6 79.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -62.22 -34.61 76.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 108.291 -179.984 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 7.4 t-20 -88.85 -5.85 57.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 57.9 t-20 -98.26 -39.93 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -57.07 -24.33 53.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.937 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.19 71.51 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 169.9 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.991 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -125.74 152.66 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.299 179.962 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 67.4 t80 -118.41 175.1 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.572 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 -179.32 143.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -133.75 14.37 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -50.39 74.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.559 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.2 134.54 12.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 -35.48 3.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.93 -41.45 1.94 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.99 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -93.25 170.89 7.98 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 91.76 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.568 1.825 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -31.57 -56.59 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 107.986 -179.989 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.408 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.5 t -90.08 116.32 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 -179.956 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -138.87 166.35 24.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.8 mttt -68.1 163.51 50.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.97 123.9 8.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.784 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.1 tt -32.98 133.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.702 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.6 pt20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.79 46.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 108.29 179.99 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.83 41.53 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.868 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -84.44 147.1 48.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.868 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.06 4.21 4.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.957 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.33 -16.71 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.54 9.35 40.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.68 17.65 3.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.686 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 9.2 mmt85 -75.75 114.41 14.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -80.36 -7.18 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.94 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' VAL . 5.2 t0 58.73 117.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.958 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.485 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.26 -19.32 31.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.977 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.37 91.07 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 15.6 m-85 -137.42 145.76 50.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -79.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 0.0 110.962 179.999 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.644 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -84.27 81.89 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.597 -179.961 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -91.7 138.41 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.625 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.9 p -152.74 173.13 4.82 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.953 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 37.66 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.8 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.84 -53.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.481 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.1 tt0 -63.24 -35.47 80.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -76.39 -30.85 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.331 179.991 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.53 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.2 m-80 -93.43 3.04 56.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' LYS . 18.8 t-20 -104.76 -38.99 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.78 -29.96 67.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.2 73.35 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.437 1.086 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.45 -159.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.998 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.83 155.86 33.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 78.0 t80 -119.09 174.27 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.576 ' O ' ' CG ' ' A' ' 47' ' ' TRP . 19.8 t70 178.48 144.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.649 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.8 p -139.49 17.21 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 179.98 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -63.6 -34.19 77.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.528 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -155.49 132.46 6.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.98 -37.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.41 -33.8 0.35 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.957 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -100.94 168.47 9.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.591 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 88.76 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.649 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 10.5 m0 -27.96 -57.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.99 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.442 ' HB2' HG11 ' A' ' 26' ' ' VAL . 1.9 t -89.33 117.47 28.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 -179.99 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.686 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.8 p90 -139.42 165.94 25.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -67.89 162.93 54.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 122.28 7.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.753 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.8 tt -33.13 136.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.559 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 1.1 tt0 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -108.94 46.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.303 -179.988 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.36 41.93 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.016 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -91.76 153.58 43.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.016 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.03 -58.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.075 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 159.65 -22.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.44 -1.89 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.525 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -114.86 11.62 16.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.754 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.3 mmt85 -77.2 110.46 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 20' ' ' ASP . 23.5 t -73.15 -8.86 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.529 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 65.3 t0 59.4 117.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -18.23 46.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 -179.995 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.52 72.63 0.61 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -138.5 145.72 47.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.438 0.728 . . . . 0.0 111.012 179.943 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -79.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.693 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -69.03 99.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 -179.967 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 48' ' ' CYS . 16.3 m -125.19 125.36 69.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.747 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 12.6 p -130.75 168.13 18.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 179.988 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.675 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 36.22 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -175.59 -46.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.529 ' H ' ' HG1' ' A' ' 27' ' ' THR . 0.3 OUTLIER -73.04 -27.34 61.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.289 -179.949 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.747 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.8 OUTLIER -79.46 -32.53 42.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.293 179.987 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -90.95 1.07 57.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -104.26 -38.81 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.571 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 3.3 tpt85 -58.63 -26.7 64.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 123.72 72.54 0.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.18 -157.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.993 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -123.86 155.71 37.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 108.246 -179.94 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.675 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.7 t80 -120.0 175.99 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.578 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 176.89 141.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.633 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.0 p -134.28 15.39 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.011 179.929 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -38.99 89.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.594 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -153.38 133.49 7.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 -33.97 4.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.58 -37.68 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.075 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -96.09 171.14 6.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.2 Cg_endo -74.98 92.02 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.633 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.1 m0 -33.43 -54.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.56 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.9 t -94.27 108.46 20.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.754 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.6 p90 -129.13 166.32 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.0 mttt -63.42 161.26 35.37 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.472 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.02 124.13 8.38 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.733 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -36.28 137.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -115.6 48.44 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.61 45.07 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.907 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.49 147.92 45.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.907 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 1.08 8.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.985 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.84 -24.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.38 14.59 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -138.46 17.14 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.688 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.25 122.68 24.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 20' ' ' ASP . 62.2 t -82.53 -9.75 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.0 t70 56.65 109.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -10.44 59.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.97 87.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.097 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.707 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -151.97 147.02 19.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.02 -85.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.437 1.756 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -58.97 84.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 109.637 -179.994 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.561 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.1 m -112.65 117.54 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.931 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -138.7 173.78 4.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.415 179.966 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.642 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 36.46 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -174.31 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.997 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.31 -35.71 40.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.512 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 0.7 OUTLIER -78.07 -26.15 48.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 108.307 179.986 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -96.09 2.84 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.7 t30 -98.87 -44.23 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.707 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.87 -34.77 63.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.41 69.66 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.37 -155.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.5 m -123.49 149.51 45.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.3 t80 -118.5 173.98 6.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.0 t70 -176.37 147.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.6 p -137.55 12.5 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -51.06 71.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.601 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.23 135.93 14.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -36.78 2.38 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.78 -47.13 1.75 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.985 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.91 170.04 13.26 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.582 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 89.75 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.9 m0 -28.67 -57.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 108.023 -179.987 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.07 121.01 31.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 -179.981 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.688 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.9 p90 -143.13 165.89 26.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.9 mtpt -69.9 165.13 45.38 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.03 127.89 11.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.557 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -35.19 136.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.475 ' CG ' ' HB3' ' A' ' 51' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.37 47.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.979 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.52 51.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.954 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.55 150.4 41.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.954 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 3.03 5.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.746 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.73 -26.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 6.78 35.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -131.01 20.39 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.803 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -76.18 129.92 37.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.998 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.3 t -86.72 -5.23 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 19' ' ' VAL . 60.6 t0 50.98 103.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -12.57 61.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 108.341 179.972 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.2 77.3 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -143.88 145.98 32.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.453 0.737 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.4 ' O ' HG22 ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.96 -82.76 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.687 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -62.45 96.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 179.986 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.7 m -126.51 124.15 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.555 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -138.23 173.67 5.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.98 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 38.85 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.43 -45.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.6 OUTLIER -71.44 -38.62 71.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -72.88 -29.33 63.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 -179.993 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -94.05 2.7 55.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.0 t30 -101.62 -39.73 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.56 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -60.92 -23.95 65.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.75 73.69 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.59 -154.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.467 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -126.98 147.99 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 179.988 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.5 t80 -114.62 174.39 5.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.0 t70 177.26 145.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.648 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.7 p -140.13 19.56 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.958 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -33.23 72.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.675 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.94 128.13 4.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -37.87 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.05 -27.87 0.44 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.746 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.35 170.54 5.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 90.2 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.648 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -32.4 -54.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.016 -179.994 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.456 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.2 t -93.78 111.96 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.803 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -131.99 166.31 21.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -68.53 163.49 53.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.96 124.16 8.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.756 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.2 tt -34.38 133.25 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.452 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.13 47.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 108.256 -179.977 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.94 43.6 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.864 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.55 146.54 44.47 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.864 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 2.08 7.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.974 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.84 -18.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.22 10.28 34.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.983 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -135.44 18.77 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.3 mmt85 -75.9 115.56 15.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.01 -11.48 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.509 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t70 57.73 108.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.21 -8.78 57.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.24 80.08 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -147.57 143.23 17.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.97 -79.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.437 1.756 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.713 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.02 93.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.575 180.0 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.521 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.7 m -126.02 127.97 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.566 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -140.47 175.92 2.83 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -179.997 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 35.41 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.55 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 0.0 OUTLIER -67.7 -32.39 73.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -82.04 -26.88 33.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 -179.997 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -94.42 0.68 55.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 27.0 t-20 -101.58 -39.17 7.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.605 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.47 -23.58 64.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.971 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.61 75.36 0.6 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.72 -154.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -126.82 150.25 49.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 108.303 -179.957 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.4 t80 -117.75 174.95 5.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.5 t70 -178.87 143.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.617 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.4 p -135.69 17.06 3.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.979 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -66.03 -48.98 69.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.544 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.08 132.84 13.82 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.95 -36.44 2.59 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.6 -43.18 2.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.105 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.974 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -89.69 170.14 11.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 89.67 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.617 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -29.5 -57.82 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.994 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.484 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.6 t -89.86 119.46 30.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -141.58 166.84 23.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.528 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.0 mtpt -70.8 165.47 46.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 127.11 10.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.718 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -35.08 135.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' NE2' ' OD2' ' A' ' 17' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.489 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 48.14 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.9 45.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.882 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.09 147.65 41.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.882 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 3.65 5.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.925 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.43 -15.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.95 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -97.05 7.22 47.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.43 18.89 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.681 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.7 mmt85 -73.96 120.15 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.2 t -80.22 -11.61 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.485 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.8 t70 57.9 108.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -15.33 61.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 -179.98 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.6 79.87 0.1 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.682 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -145.8 146.92 30.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.96 -86.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.89 85.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.62 -179.994 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.541 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.8 m -114.15 118.94 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.504 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.0 p -135.83 172.72 6.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.657 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 36.22 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 27' ' ' THR . 3.2 tmtt? -174.4 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -76.93 -37.4 55.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -75.5 -27.61 58.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.262 -179.948 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.18 2.92 53.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 6.8 t30 -100.59 -42.98 6.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.682 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -57.04 -33.8 67.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.41 72.32 0.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 178.37 -157.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.967 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 m -123.2 148.91 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.325 179.951 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.2 t80 -116.83 174.24 6.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.568 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.0 t70 -178.92 143.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.614 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.0 p -133.2 13.92 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 179.962 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -54.26 48.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.803 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.15 138.64 16.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.96 -36.97 2.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.788 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.5 -38.8 1.05 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.925 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.85 168.15 11.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.595 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 87.83 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -27.47 -57.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -90.0 119.76 30.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 108.329 179.992 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.681 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.2 p90 -141.89 164.47 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -66.98 164.39 35.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 126.33 9.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.1 tt -35.27 132.55 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.46 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.354 179.939 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.96 45.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.981 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.46 47.76 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.877 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.43 147.85 40.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.877 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.95 2.02 7.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.07 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.5 -18.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.513 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.46 11.85 29.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.498 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.85 16.67 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.68 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 7.7 mmt85 -76.16 96.77 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 20' ' ' ASP . 66.8 t -62.59 -14.36 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.5 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.8 t0 56.19 111.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.971 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.11 -13.53 49.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.242 -179.982 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.17 102.38 0.04 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 17.6 m-85 -141.58 144.59 33.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.647 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -79.86 81.02 6.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.566 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.2 m -89.52 137.21 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.7 p -150.17 172.42 5.3 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.624 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 39.57 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -178.8 -54.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.953 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.583 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -60.78 -44.81 96.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -63.52 -34.98 78.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 108.252 -179.965 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 12.2 t30 -90.63 0.13 57.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' LYS . 40.5 t-20 -97.96 -37.31 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.606 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -64.83 -21.87 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.33 73.79 0.49 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 -179.967 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.24 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -126.72 150.36 49.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.263 -179.999 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.624 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 64.9 t80 -116.27 174.44 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.4 t70 -177.52 144.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.1 p -134.29 12.07 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -49.66 76.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.584 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.68 134.73 12.49 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 -34.75 3.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.34 -46.95 2.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.07 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.83 170.88 10.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.741 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.576 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.01 90.59 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.3 m0 -29.15 -56.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 107.948 -179.972 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.493 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.4 t -89.47 128.02 35.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 108.313 -179.98 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.68 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.1 p90 -151.73 165.27 34.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.522 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.1 mttt -67.87 164.13 43.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.95 124.66 8.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.438 1.757 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.728 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -34.49 129.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.723 ' H ' ' NE2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.459 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -105.96 40.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 108.276 -179.978 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.53 41.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.872 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -80.8 147.23 61.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.872 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.91 1.16 8.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.067 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.79 -18.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.533 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.86 9.38 37.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.513 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -132.95 16.73 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.0 mmt85 -76.05 112.38 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 61.9 t -76.26 -7.14 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.9 t0 57.63 112.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -82.05 -20.23 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.971 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.04 97.86 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 21.4 m-85 -146.68 140.74 15.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.771 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.05 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.558 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.2 82.75 6.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 -179.999 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.7 m -97.14 139.65 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.596 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 7.3 p -149.58 170.96 6.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.42 179.953 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 35.84 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.23 -49.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.46 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.5 OUTLIER -64.85 -33.02 75.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.596 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -79.44 -26.64 41.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.317 179.965 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.471 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -96.51 1.45 51.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LYS . 32.8 t-20 -104.7 -37.16 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.69 -31.05 70.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 129.62 73.6 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 167.09 -158.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.963 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -123.12 155.71 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 108.265 -179.978 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.9 t80 -119.91 174.74 6.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 14.6 t70 -179.34 143.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.638 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.7 p -133.48 13.6 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -57.21 -50.99 71.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.31 135.41 12.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.97 -35.71 3.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.5 -36.89 0.73 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.067 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -98.62 169.96 7.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.541 0.789 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.572 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 89.88 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.638 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.8 m0 -29.46 -57.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.409 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.3 t -88.65 117.5 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.9 p90 -140.97 166.37 24.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.517 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.9 mttt -72.03 163.92 63.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 123.27 7.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.793 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.8 tt -32.23 135.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.793 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 2.7 pt20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.429 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 1.6 m -115.46 46.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 108.258 -179.976 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.13 57.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.031 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.21 152.41 39.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.948 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.031 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 2.53 6.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.778 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.32 -25.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.05 4.23 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -128.09 20.96 6.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.96 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.785 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.07 135.92 39.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 179.985 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 20' ' ' ASP . 11.5 t -94.13 2.13 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.3 t0 43.69 95.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -23.66 63.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 108.264 -179.984 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.0 96.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.568 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 12.0 m-85 -138.78 150.11 64.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -79.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.628 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -87.8 86.35 7.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 179.972 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -95.22 139.99 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.541 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -152.84 170.86 7.47 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 40.28 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -178.7 -47.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.628 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -68.72 -44.03 74.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.355 179.961 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -64.73 -39.53 93.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.965 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -81.8 -4.18 55.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.1 t30 -100.14 -37.09 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 5.7 tpt85 -59.62 -27.22 66.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.94 71.7 0.25 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.28 -157.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.963 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.3 m -121.35 151.61 39.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.273 179.988 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.8 t80 -114.88 173.59 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.6 t70 177.24 140.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 80.6 p -131.17 17.37 5.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -58.63 -49.18 78.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.809 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.99 134.47 11.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.97 -37.44 2.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.94 -28.21 0.68 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.809 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -104.89 170.63 5.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 91.49 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.1 m0 -33.87 -52.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 107.988 -179.98 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.45 109.58 21.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.785 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -129.44 164.65 23.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.2 mttt -68.3 164.9 38.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 120.58 6.13 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.8 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.9 tt -30.19 99.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.498 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.6 mt-30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.2 42.6 1.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.309 -179.957 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.24 43.59 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.889 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.37 147.74 47.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.889 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 0.93 8.3 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.004 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.31 -21.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.28 12.84 23.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -137.92 18.2 2.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.7 mmt85 -74.62 118.91 18.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.442 HG11 ' CD ' ' A' ' 50' ' ' LYS . 70.8 t -74.92 -9.61 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.947 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.542 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 53.4 t0 54.95 104.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -17.36 63.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 -179.997 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.75 73.82 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -140.51 144.23 35.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.961 -179.953 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -75.01 -78.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.723 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.62 97.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.598 179.954 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.565 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.6 m -125.95 128.91 72.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.588 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 5.7 p -134.57 169.94 12.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.678 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.98 39.23 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.88 -51.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 3.8 tp10 -64.63 -42.76 95.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.571 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.59 -33.02 74.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 108.281 179.996 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -90.61 2.91 55.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -103.18 -35.54 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.54 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.0 -26.62 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.47 71.89 0.24 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.5 -156.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.1 m -125.98 152.71 45.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.265 -179.996 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 56.1 t80 -117.61 175.71 5.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.607 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 6.7 t70 -178.31 144.87 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.8 p -135.34 12.18 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -48.94 79.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.553 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.84 134.33 12.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.98 -36.05 2.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.07 -43.9 1.93 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.15 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.004 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -89.44 169.98 11.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 90.07 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -29.59 -55.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 107.991 -179.968 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.565 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.2 t -91.25 118.92 30.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.295 179.998 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.3 p90 -141.49 165.91 26.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.6 mtpt -71.58 165.86 45.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 126.06 9.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.787 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.0 tt -35.4 126.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.656 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.963 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.09 45.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.339 179.975 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.21 40.71 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.854 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.36 146.32 53.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.854 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -0.07 9.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.025 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.31 -15.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.533 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.86 7.29 46.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.968 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.617 ' HB3' HG12 ' A' ' 13' ' ' VAL . 5.6 t0 -135.47 21.81 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.674 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 12.5 mmt85 -74.76 115.69 14.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.3 t -71.26 -11.31 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.508 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 65.9 t0 55.67 109.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.48 -10.13 59.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.4 73.16 0.43 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -139.05 145.35 44.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.45 0.735 . . . . 0.0 111.016 179.929 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -81.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.761 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.702 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.87 97.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.622 -180.0 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 48' ' ' CYS . 17.4 m -126.79 132.0 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.607 ' C ' ' CD2' ' A' ' 38' ' ' PHE . 5.3 p -140.89 170.54 9.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.997 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.662 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 38.95 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.77 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 179.953 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.11 -41.58 94.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.575 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.02 -32.35 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 108.333 179.965 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.401 ' OD1' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -89.94 2.92 54.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.994 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -101.56 -35.56 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.589 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.32 -28.77 69.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.26 71.72 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.57 -156.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.7 m -124.89 153.59 42.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.662 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 51.3 t80 -121.32 175.28 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 8.9 t70 -177.64 145.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.6 p -135.43 13.3 3.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -47.13 85.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.538 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.88 134.08 11.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 -36.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.71 -45.1 1.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.025 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.59 169.61 13.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.05 89.99 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -29.7 -56.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 108.005 -179.963 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.56 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.7 t -90.33 117.92 29.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.288 179.968 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.4 p90 -140.3 165.99 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.552 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.9 mttt -69.51 164.72 47.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.93 124.74 8.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.1 tt -33.18 137.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.762 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' LEU . 6.6 pt20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.431 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 3.0 m -107.65 44.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.16 42.83 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.788 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.69 145.29 34.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.788 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 0.79 8.45 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.994 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.81 -25.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.51 11.71 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.53 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.37 17.55 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.1 mmt85 -75.23 112.69 11.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 7.0 t -70.26 -11.05 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 49.9 t0 58.13 115.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -10.25 59.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 108.348 179.949 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.37 77.56 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -144.9 144.98 25.89 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.4 Cg_endo -74.98 -80.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.699 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.87 95.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 -179.973 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 23.0 m -126.05 126.04 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.569 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.8 173.36 5.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.992 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.648 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 39.21 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.59 -46.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.2 OUTLIER -71.18 -38.36 72.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -73.56 -31.97 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 108.307 -179.981 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -91.67 0.26 57.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 11.9 t30 -100.84 -40.31 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -59.35 -23.48 62.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.72 75.1 0.59 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.27 -154.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -125.05 150.06 47.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.648 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.5 t80 -118.59 174.15 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 8.3 t70 -178.63 146.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.6 p -139.02 14.39 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -63.94 -46.19 85.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.541 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.83 133.97 11.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.05 -36.83 2.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.52 -46.17 2.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.994 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.61 169.42 15.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.597 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 88.43 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.9 m0 -27.49 -57.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.999 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.493 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.7 t -90.66 119.3 30.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.29 -179.931 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -141.22 167.56 21.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -70.46 163.7 60.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 124.49 8.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 111.054 179.95 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.796 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.8 tt -34.91 131.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.652 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CG ' ' HB3' ' A' ' 51' ' ' PRO . 1.4 pt20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.09 41.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.349 179.951 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.81 40.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.907 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -81.5 148.28 62.01 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.907 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 3.16 5.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.898 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.44 -21.51 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -93.68 9.62 36.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.72 18.44 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.706 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.9 mmt85 -73.0 119.14 16.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.03 -14.45 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.509 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 59.02 111.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.27 -14.01 61.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 108.328 179.973 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.45 73.04 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -140.88 144.48 35.7 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.98 -76.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.414 1.744 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.709 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -68.88 97.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.626 179.989 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.543 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.5 m -125.91 130.55 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.599 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.8 p -138.12 171.4 8.4 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 40.46 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.74 -54.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 1.4 tp10 -61.24 -43.78 98.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -64.26 -33.11 75.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 108.274 -179.965 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -92.52 4.86 52.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -104.22 -35.01 8.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -64.49 -29.8 70.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.21 69.6 0.14 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 174.24 -158.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -179.951 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -124.04 154.12 40.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.312 179.985 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.666 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 60.4 t80 -119.05 174.72 6.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.572 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 6.2 t70 -179.22 141.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.0 p -130.34 13.4 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -55.84 27.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.811 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -140.94 139.14 18.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -74.99 -38.15 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.812 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.61 -39.03 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.898 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -93.82 167.82 13.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 89.65 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.4 m0 -29.82 -55.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 107.973 -179.973 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.543 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.9 t -91.46 119.09 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 -179.985 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.706 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.2 p90 -142.21 167.98 20.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.554 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -75.58 164.82 58.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.554 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 126.25 9.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.563 1.823 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.4 tt -32.98 137.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.797 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -110.69 47.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.295 -179.983 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.49 48.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.921 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.94 149.42 47.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.921 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.972 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.26 -23.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.81 9.38 32.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.529 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -133.14 17.67 4.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.693 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.19 117.26 16.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 24.5 t -75.76 -10.53 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.522 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 55.2 t0 58.13 112.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.158 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -18.35 60.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.59 72.45 0.66 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -139.53 144.07 38.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.983 -179.988 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -77.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.733 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -68.87 97.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.596 -179.986 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.9 m -124.14 129.69 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.664 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 9.1 p -135.24 171.93 8.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.936 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.678 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 35.06 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.1 tmmt? -177.84 -48.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.491 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.9 OUTLIER -66.44 -26.89 67.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.664 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -83.57 -34.12 25.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -179.981 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.621 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 17.3 p30 -90.85 4.31 52.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.7 t-20 -106.02 -37.15 6.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.555 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.99 -27.78 68.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.948 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.93 70.69 0.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.33 -156.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.99 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.446 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -125.85 154.44 42.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.354 179.99 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.4 t80 -119.58 176.38 5.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.585 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 12.2 t70 179.11 142.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.617 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.1 p -131.98 13.03 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -53.25 60.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.631 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.36 136.83 16.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 -36.47 2.51 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.72 -45.76 2.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.972 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.15 169.64 13.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.362 179.942 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 92.0 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.617 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -31.45 -56.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.582 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.3 t -91.35 115.05 27.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.693 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.5 p90 -136.68 166.09 24.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.3 mttt -67.82 163.85 45.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.96 124.73 8.87 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.576 1.83 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.778 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.5 tt -35.01 130.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.506 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.429 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.2 45.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.273 -180.0 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.85 44.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.913 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -84.19 148.0 52.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.913 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.01 1.16 8.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.551 1.816 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.968 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.12 -16.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.07 7.26 46.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.498 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.88 19.13 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.704 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.2 mmt85 -74.59 101.62 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.29 179.963 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 5.8 t -61.55 -18.93 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.549 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 57.24 112.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -83.85 -9.76 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 108.344 179.924 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.91 97.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.638 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -156.78 145.39 14.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 111.018 179.949 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.01 -86.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.418 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.14 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 179.973 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 32.5 m -116.36 116.92 53.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 p -129.11 169.95 11.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.463 179.948 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.691 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 38.3 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.0 -37.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.475 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.7 tt0 -79.61 -35.18 39.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -75.13 -28.62 60.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.322 179.969 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -96.1 1.95 52.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.363 179.984 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 3.0 t-20 -101.05 -42.16 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.638 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -58.71 -27.13 64.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.995 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 74.77 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.94 -154.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.7 m -129.81 147.76 51.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.346 179.993 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.691 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.1 t80 -115.66 175.17 5.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 3.0 t70 -178.03 143.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.609 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -133.87 10.68 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -59.45 -49.57 77.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.565 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.82 134.29 13.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.999 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -36.88 2.31 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.74 -47.44 2.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -84.88 169.78 15.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 89.62 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -28.8 -56.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.033 179.99 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.0 t -89.96 126.44 35.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 108.274 -179.99 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.4 p90 -149.28 168.15 24.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.527 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 26.2 mtpt -71.85 165.65 47.72 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 129.17 12.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.459 1.768 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.72 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -35.68 137.64 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.421 HE21 ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.948 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.482 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.0 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.36 46.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.317 179.999 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.32 41.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.008 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -90.06 153.62 47.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.008 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -59.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.985 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.74 -23.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 1.62 57.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -119.78 13.22 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.748 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.7 mmt85 -77.12 103.96 7.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.463 HG11 ' HE3' ' A' ' 50' ' ' LYS . 2.9 t -63.35 -16.65 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.546 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 54.9 t0 57.98 114.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 1.307 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -79.52 -26.03 41.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.27 75.66 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -142.21 144.34 31.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -78.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.802 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.692 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -65.97 96.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.576 -179.987 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.528 HG11 ' HB2' ' A' ' 48' ' ' CYS . 17.2 m -126.0 125.48 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.657 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 4.3 p -128.0 169.93 11.5 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.442 -179.984 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 39.26 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -178.5 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.927 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 2.6 tt0 -63.4 -39.06 93.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.657 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.04 -39.1 92.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 108.327 179.979 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -85.67 0.37 52.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -100.88 -36.33 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.603 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -62.85 -20.5 65.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 118.36 70.02 0.36 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 1.307 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER 173.38 -153.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.956 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -130.0 153.72 48.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.266 -179.941 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.697 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 57.7 t80 -117.34 174.77 5.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.601 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 2.6 t70 -179.79 142.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.1 p -136.26 16.82 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -68.4 -32.83 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.651 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.57 126.09 3.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.953 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 -32.41 5.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.44 -25.26 1.96 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.985 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -106.65 172.64 3.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.546 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.3 Cg_endo -75.05 89.19 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -32.41 -54.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.528 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.0 t -93.26 115.26 27.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 108.32 179.943 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.748 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.0 p90 -137.68 165.19 26.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 6.1 mttt -63.48 162.7 24.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.02 125.33 9.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.74 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -37.22 129.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -112.93 47.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.16 53.61 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.353 179.993 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.895 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -97.2 148.74 34.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.895 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.93 1.55 7.57 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.074 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.28 -20.58 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.46 4.09 53.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -129.07 21.71 5.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.853 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.8 mmt180 -76.1 131.89 39.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.955 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.4 t -89.86 3.4 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.488 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 43.2 t0 44.4 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -20.67 65.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 179.988 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.22 76.5 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -142.32 143.33 26.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -79.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.679 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.18 96.89 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 179.976 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.514 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.0 m -125.48 122.76 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.625 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 6.2 p -126.39 170.35 9.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 -179.972 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 37.99 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.35 -51.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' H ' ' HG1' ' A' ' 27' ' ' THR . 4.0 tp10 -63.63 -39.65 94.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.334 -179.978 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.28 -39.27 93.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 108.319 179.963 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 12.2 t30 -86.41 -1.68 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -97.69 -34.84 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.57 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -65.88 -21.04 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.36 70.52 0.34 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 173.5 -154.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.974 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.1 m -129.92 151.23 50.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.277 179.991 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.697 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 64.6 t80 -114.41 175.74 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 25.9 t70 175.71 139.15 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 86.9 p -129.06 17.74 6.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -61.8 -48.71 79.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.589 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.79 136.9 13.87 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 -37.99 1.81 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.96 -49.61 2.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.074 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -85.22 169.94 14.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.749 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.493 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 96.11 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -35.01 -49.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.447 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.3 t -97.74 104.8 16.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.853 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -123.83 165.73 16.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -68.78 164.06 49.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.498 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.97 121.56 6.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -33.67 116.11 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.983 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.478 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 2.0 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -108.61 45.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.32 179.943 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.92 47.4 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.926 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.97 150.03 42.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.926 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 2.86 6.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.552 1.817 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 87.13 -27.44 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 6.11 36.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.506 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.02 23.34 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.784 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -75.51 114.52 14.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.564 HG11 ' HD3' ' A' ' 50' ' ' LYS . 40.1 t -67.39 -18.46 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 52.69 106.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.967 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -13.44 59.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.38 98.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.596 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -156.39 144.74 14.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.0 -85.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.551 1.816 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.405 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.32 84.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 -179.983 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.1 m -113.97 117.25 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.626 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 7.0 p -123.71 170.18 9.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.709 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.01 38.01 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.7 tmtm? -177.45 -50.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 6.5 tt0 -64.45 -39.96 94.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.608 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.03 -34.13 77.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.285 -179.979 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 14.8 t30 -93.3 1.17 57.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 37.8 t30 -99.05 -37.31 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.596 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -64.43 -22.71 67.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.939 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.03 71.19 0.27 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 174.8 -155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.94 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.4 m -130.45 150.56 51.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 -179.987 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.709 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 50.0 t80 -115.72 175.46 5.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.637 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 5.2 t70 -178.99 142.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 -179.965 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.588 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -134.03 16.63 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -65.06 -43.65 91.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.818 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -147.57 132.71 9.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.434 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -37.8 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.57 -29.54 0.76 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.818 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -100.76 168.9 8.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 87.77 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.588 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -30.15 -52.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -94.25 121.8 36.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 108.322 179.975 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.784 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -144.24 164.87 29.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HD3' HG11 ' A' ' 19' ' ' VAL . 22.0 mtpt -70.27 164.4 53.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 125.86 9.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.799 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.37 139.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.754 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.476 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 1.9 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -101.19 46.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 108.325 179.996 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.57 52.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.897 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.72 148.94 37.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.897 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.1 0.05 9.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 1.041 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.81 -26.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.933 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.77 7.4 30.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.743 ' HB3' HG12 ' A' ' 13' ' ' VAL . 8.7 t0 -133.11 22.19 4.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.145 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.829 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.7 mmt180 -76.48 136.63 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.431 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 2.0 t -91.78 3.57 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.495 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 36.2 t0 43.44 93.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -14.26 52.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.56 72.23 0.57 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -136.28 143.64 44.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -90.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.538 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -56.17 93.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.624 -179.998 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.55 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.4 m -125.27 122.46 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.586 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.5 p -133.07 168.55 17.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.634 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.93 40.23 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.8 tmtm? 179.96 -35.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 20.8 tt0 -84.57 -26.67 27.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -83.18 -24.9 32.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -95.1 0.85 54.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 37.5 t-20 -105.32 -38.66 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.595 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.23 -29.75 68.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.16 75.44 0.28 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.79 -159.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.3 m -123.16 149.87 44.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.3 179.998 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.5 t80 -114.49 174.7 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.7 t70 176.45 140.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.609 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.9 p -129.66 17.19 5.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.947 179.985 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -51.51 69.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.576 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.58 137.74 15.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.93 -38.34 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.431 1.753 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' PRO . . . -37.56 -47.37 1.64 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 -179.931 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.041 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -87.6 170.02 12.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 95.21 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 -179.996 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -34.58 -50.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.965 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 5.7 t -98.11 101.56 13.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 108.309 -179.991 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.829 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -119.41 165.11 14.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -67.24 163.87 41.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.476 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 119.25 5.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.787 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -35.15 134.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.737 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.401 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 5.4 pt20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 2.1 m -112.49 44.63 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.94 44.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.724 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.57 143.54 29.29 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.724 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 5.15 4.15 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.96 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.41 -17.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.17 8.25 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -133.32 18.82 4.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.706 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.8 mmt85 -75.03 116.95 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 20' ' ' ASP . 18.8 t -77.95 -10.32 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.7 t70 58.95 114.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -8.91 59.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.31 179.989 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.34 79.83 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -146.8 146.0 24.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 -179.999 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -80.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.705 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -64.73 96.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 -179.961 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.5 m -125.86 125.16 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.564 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -140.04 173.49 4.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 -179.958 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 39.37 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.36 -47.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.937 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -70.84 -39.11 73.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -72.46 -27.4 62.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 108.259 -179.954 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -95.9 4.22 52.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.7 t30 -101.96 -39.75 7.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.601 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.06 -23.15 65.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.82 73.39 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.127 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.14 -153.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.985 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -126.87 150.0 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.8 t80 -118.06 174.21 6.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.7 t70 178.05 143.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.659 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.4 p -139.93 18.3 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -31.46 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.483 HD13 ' CG2' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -154.76 129.9 5.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.936 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.439 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -36.57 2.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.39 -35.65 0.83 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.96 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.83 168.83 9.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.07 88.77 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.659 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.2 m0 -28.47 -58.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.484 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.5 t -89.76 118.93 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 108.289 179.997 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.706 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.5 p90 -140.86 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -71.01 163.78 62.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.03 125.59 9.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.94 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -33.14 118.31 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.496 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.3 38.84 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.351 179.973 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.7 45.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.871 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.63 148.1 39.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.871 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 0.81 8.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 87.89 -25.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.92 6.62 38.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.708 ' HB3' HG12 ' A' ' 13' ' ' VAL . 10.3 t0 -133.23 22.75 4.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.832 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 3.2 mmt180 -75.89 131.64 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.513 HG11 ' HD3' ' A' ' 50' ' ' LYS . 76.0 t -85.62 -8.95 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.8 t70 53.47 105.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -14.24 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 108.312 179.977 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.92 73.02 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.943 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -138.94 145.48 45.69 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 111.017 179.996 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -79.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.733 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.76 98.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.633 179.955 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.5 m -126.11 126.49 69.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.612 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 5.5 p -131.28 170.04 12.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.939 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.696 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.89 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.4 -51.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 4.4 tt0 -64.05 -41.14 97.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.609 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -63.89 -37.23 86.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 108.304 -179.999 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.434 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 9.9 t30 -87.96 -0.52 57.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -96.74 -35.78 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.567 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -65.79 -24.48 66.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.3 71.36 0.29 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 175.0 -157.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.977 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.441 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -125.77 152.13 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 108.274 179.987 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 54.5 t80 -118.09 175.29 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 11.0 t70 178.79 144.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.614 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.4 p -135.59 15.78 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -64.56 -40.47 95.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.766 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.21 130.55 7.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 -37.99 1.8 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.54 1.811 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.26 -28.45 0.54 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.766 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -102.3 169.94 6.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 89.95 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -33.05 -53.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.544 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.7 t -94.43 110.63 22.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.832 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.7 p90 -131.37 165.62 23.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HD3' HG11 ' A' ' 19' ' ' VAL . 22.1 mtpt -71.59 164.44 57.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.95 125.31 9.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.3 tt -35.25 137.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.801 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.1 mp0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 52.45 -179.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -84.2 -173.97 5.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.418 HG13 HD23 ' A' ' 6' ' ' LEU . 6.6 p -175.78 120.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -87.1 101.23 2.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.418 HD23 HG13 ' A' ' 4' ' ' VAL . 1.2 pp -122.34 30.52 6.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER 172.04 -174.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.524 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . -40.62 -90.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 41.5 -93.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.9 mt-30 -50.89 -41.3 58.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.38 41.25 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.95 42.1 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.967 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -95.7 152.13 38.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.967 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.022 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.19 -24.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.67 7.11 44.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.534 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -124.25 11.13 8.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.721 ' NH1' HG21 ' A' ' 45' ' ' VAL . 13.0 mmt85 -77.01 116.91 18.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 43.8 t -81.63 -8.9 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 6.0 t0 58.75 115.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.93 -20.92 29.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 108.291 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 66.62 93.41 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.591 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.1 m-85 -140.21 148.97 56.48 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -75.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.633 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.98 84.88 6.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.59 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.591 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.8 m -95.99 136.37 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.546 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.0 p -151.61 171.46 6.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.579 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.92 39.54 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.53 -45.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.574 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.6 tt0 -72.62 -38.26 67.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 110.285 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.45 -27.79 60.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.267 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.453 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.5 m120 -93.45 -0.84 56.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 20.8 t30 -101.61 -41.58 6.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.417 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.18 -29.01 60.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 74.99 0.31 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.84 -159.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.496 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.23 152.87 37.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 108.323 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 82.0 t80 -117.74 173.39 6.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.9 t70 178.95 142.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.623 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.7 p -135.35 17.74 3.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -60.22 -42.85 96.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.816 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -150.64 133.87 8.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.07 -30.57 6.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.93 -28.98 4.21 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.022 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.53 171.32 4.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.56 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 88.86 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.623 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -30.36 -55.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 107.987 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -92.45 113.94 26.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 108.315 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.717 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -135.28 164.87 26.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -65.74 161.56 52.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.99 124.21 8.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.509 1.794 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.756 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -35.09 133.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.431 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -61.55 80.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 5.3 pt-20 -47.96 117.4 1.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.64 74.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 109.255 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.32 125.81 28.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.4 p -132.71 114.16 13.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 108.306 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.9 t -112.39 -37.01 5.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.4 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 110.982 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -115.09 109.2 17.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.341 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.409 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 13.6 p90 -120.61 132.73 55.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 m -117.67 114.77 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.69 16.67 1.61 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 7' ' ' SER . 0.8 OUTLIER -96.24 92.32 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' ASN . 9.0 p 59.89 149.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.029 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 67.31 -73.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' SER . 35.6 m-80 -49.17 -25.92 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.3 pt20 -89.85 -37.88 14.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.49 43.13 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.265 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -100.81 40.53 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.981 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.68 152.42 40.76 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.981 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 -58.54 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.019 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.76 -24.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.4 4.51 53.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.542 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -121.7 11.17 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.721 ' NH1' HG21 ' A' ' 45' ' ' VAL . 12.6 mmt85 -76.47 116.09 16.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -81.61 -10.49 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.5 t0 59.09 117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -23.81 30.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.25 91.93 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.6 m-85 -139.26 147.81 54.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -71.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.781 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.631 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -91.4 84.99 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.629 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.3 m -96.37 135.33 30.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.523 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.2 p -148.88 169.75 8.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.6 Cg_endo -74.99 38.75 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.053 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.07 -40.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.1 tp10 -76.69 -40.61 48.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -69.74 -35.22 74.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 108.287 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -85.85 -3.09 58.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.7 t30 -100.61 -40.04 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.502 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -56.99 -26.32 59.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.7 73.07 0.33 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.99 -158.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.82 151.71 39.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.9 t80 -116.32 173.92 6.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 30.5 t70 178.21 142.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.637 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.2 p -135.85 15.5 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -59.14 -39.4 82.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.703 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.33 131.81 6.91 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.96 -31.74 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.536 1.808 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.9 -29.07 3.06 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.019 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.57 171.73 4.63 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 90.26 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.637 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -31.72 -55.47 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -92.44 113.4 25.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.303 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.714 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -134.37 164.22 27.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.8 mtpt -63.8 162.21 30.83 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.04 124.25 8.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.733 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -37.12 132.0 0.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.29 72.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.627 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -46.8 111.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 57' ' ' CYS . . . -138.62 121.75 16.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.93 -67.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 55' ' ' ALA . 7.1 t -147.66 -63.74 0.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 t -141.29 -46.3 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.351 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.6 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.24 49.83 2.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -170.59 112.54 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 p 179.29 102.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . 147.63 -98.54 0.19 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' C ' HD12 ' A' ' 6' ' ' LEU . 2.2 pp -39.58 148.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.261 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.65 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 2.3 p -89.87 135.43 33.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 166.96 -72.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -53.94 -38.05 64.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -78.38 -33.56 48.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 41.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -100.13 38.21 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.954 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.32 151.67 41.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.954 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -57.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.549 1.815 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.033 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.35 -23.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.12 5.55 51.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.3 m-20 -123.0 11.03 9.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.73 ' NH1' HG21 ' A' ' 45' ' ' VAL . 12.9 mmt85 -76.34 116.48 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 87.7 t -82.26 -9.38 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 2.2 t70 58.95 116.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.61 -23.42 29.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 108.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.13 91.88 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.155 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.597 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.3 m-85 -138.95 148.84 59.44 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -76.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.63 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.8 83.42 7.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.3 m -94.15 136.51 25.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.54 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -152.26 169.87 8.87 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.428 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.92 39.06 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.83 -40.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.496 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.7 tt0 -78.88 -37.26 40.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.96 -28.8 60.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.659 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.9 p30 -94.21 3.25 55.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.0 t-20 -104.56 -42.14 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -30.09 62.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.83 75.21 0.26 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.37 -159.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -120.37 152.37 37.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 108.288 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.2 t80 -118.14 173.21 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.9 t70 179.83 145.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.655 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.8 p -140.13 16.4 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.36 -33.94 76.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 110.297 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.657 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.23 129.48 4.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.01 -33.07 4.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.73 -28.1 1.56 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.033 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -106.12 172.02 4.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.55 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.03 89.4 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.655 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.7 m0 -31.1 -55.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.59 112.16 24.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 108.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.708 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -133.24 163.98 28.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -64.37 161.92 38.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 123.32 7.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.755 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -37.34 138.05 0.34 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.49 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -60.08 80.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -55.2 97.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.34 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 56' ' ' GLU . . . -118.29 -169.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ALA . 3.3 mp0 -38.01 126.18 1.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 110.352 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.7 m -58.71 156.14 11.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.8 m -146.49 -56.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 16.6 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -177.27 -45.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 29.3 t80 52.65 97.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 4' ' ' VAL . 7.2 p -166.06 51.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.17 106.4 1.01 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 pp -110.6 -28.91 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.355 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.7 p -110.33 -156.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.745 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -99.14 29.61 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.77 -56.13 20.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -63.69 -29.23 70.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -113.93 47.02 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.279 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -116.75 51.58 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.955 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.98 150.37 40.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.955 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 1.4 7.79 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.515 1.797 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.031 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.35 -27.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.359 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.43 9.94 21.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -133.91 20.01 3.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.826 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.6 mmt180 -75.87 136.36 40.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 13.3 t -95.88 -3.98 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.3 t70 50.94 102.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.5 -22.67 60.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.67 93.8 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -139.67 149.11 58.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.97 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -77.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.646 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.43 83.53 7.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.587 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.5 m -93.78 135.25 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.534 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -151.02 170.68 7.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.02 39.08 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.539 1.81 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.12 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.346 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.59 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -76.26 -39.54 54.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.64 -30.78 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -92.29 1.09 57.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.0 t-20 -101.92 -41.07 6.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -30.34 66.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.31 75.57 0.25 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.0 -159.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.5 m -120.62 151.23 39.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 108.255 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.0 t80 -117.17 173.33 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.3 t70 -179.5 145.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.61 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.7 p -135.63 14.3 3.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.15 -48.22 80.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.576 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.81 136.15 12.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.03 -37.39 2.03 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.543 1.812 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.63 -46.38 2.13 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.031 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.1 170.87 10.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 92.56 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.61 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.82 -52.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 107.988 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -94.85 112.55 24.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.826 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.7 p90 -132.55 162.87 30.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -65.95 163.84 33.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.491 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -75.02 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.783 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.2 tt -33.83 134.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.783 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -63.96 75.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -45.51 119.76 2.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.35 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.97 165.3 36.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -151.93 114.43 4.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.17 -63.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.1 t -169.03 128.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 61.9 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 3' ' ' TYR . 19.4 mt-10 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 61.18 -81.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 1' ' ' GLU . 63.3 t80 56.65 161.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.5 HG22 ' H ' ' A' ' 6' ' ' LEU . 11.5 p -174.8 129.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -81.82 14.67 30.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.5 ' H ' HG22 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -36.71 101.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.578 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 25.0 p 59.78 155.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.033 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 75.83 -81.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -44.61 -41.2 6.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -74.09 -34.87 64.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -110.61 45.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -101.83 40.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.96 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -94.01 152.34 40.39 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.96 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.05 -57.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.1 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 158.78 -22.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.34 2.85 56.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.534 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -119.8 11.38 11.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.735 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.1 mmt85 -77.07 117.55 18.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.345 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 20' ' ' ASP . 49.0 t -83.56 -9.18 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.4 t0 59.88 117.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.68 -20.88 28.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.11 92.89 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 m-85 -139.83 148.36 55.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -75.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.631 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -88.46 84.35 6.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.588 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.5 m -95.77 137.92 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.558 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -152.56 172.08 5.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.408 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.95 40.24 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.54 -49.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.528 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 5.1 tt0 -66.88 -43.86 82.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -65.0 -34.04 77.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.311 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 10.5 t30 -90.35 -1.61 57.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 34.9 t-20 -95.52 -39.45 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.38 -27.41 68.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.87 73.72 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.64 -158.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.505 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -121.19 152.18 39.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 108.339 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.8 t80 -117.85 173.44 6.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.6 t70 -179.11 144.05 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.4 p -136.26 14.63 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.041 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -58.69 -41.94 87.41 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.581 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.0 135.59 9.57 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.448 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -36.49 2.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.57 -39.74 1.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.1 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -95.24 171.16 6.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 91.28 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -31.66 -55.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 108.047 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.9 113.6 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.735 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -133.88 163.41 29.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -61.75 162.49 16.11 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.0 121.22 6.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.541 1.811 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.748 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -37.23 134.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -63.02 75.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -52.29 103.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 56' ' ' GLU . . . -132.12 124.72 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 57' ' ' CYS . 0.9 OUTLIER 41.06 -165.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.52 ' N ' ' CG ' ' A' ' 56' ' ' GLU . 69.4 m 63.86 140.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 108.25 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.3 p -140.37 -52.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.51 61.37 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -167.75 127.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 4' ' ' VAL . 11.9 p -174.75 94.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -116.82 1.81 19.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.16 47.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.693 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.5 p 177.76 117.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.699 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 83.72 -72.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -53.69 -33.63 56.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.422 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.3 tt0 -82.23 -33.05 29.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.18 46.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 108.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -116.27 54.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.022 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.63 151.7 42.66 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.022 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 1.68 7.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.997 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.09 -27.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.78 6.3 35.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.501 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -129.99 20.35 5.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.5 mmt180 -76.06 140.24 41.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 19' ' ' VAL . 54.5 t -99.9 -1.92 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 19' ' ' VAL . 7.6 t0 48.18 99.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.85 -22.35 61.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.0 93.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.583 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.9 m-85 -139.21 148.8 58.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.754 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -76.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.639 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.96 84.55 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.107 . . . . 0.0 109.569 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.583 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.4 m -95.32 134.45 32.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.53 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -150.01 171.38 6.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.583 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 38.86 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.523 1.802 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.23 -42.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.574 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.2 tt0 -75.04 -37.97 61.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.4 -27.34 60.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.272 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.519 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.3 m-80 -94.8 0.12 54.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 15.5 t30 -101.03 -41.44 6.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -29.16 64.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.53 76.2 0.36 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.53 -158.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.4 m -121.41 151.53 40.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.583 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.5 t80 -117.5 173.49 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.2 t70 -180.0 144.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.604 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 85.4 p -133.76 14.63 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.071 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -51.35 69.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.584 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.54 135.71 14.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.364 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.449 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 -37.02 2.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.47 -44.01 2.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.997 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -90.35 171.75 8.0 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.06 93.38 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.604 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.3 m0 -33.66 -53.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 107.997 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.0 t -94.42 111.11 22.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 108.33 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -130.88 162.19 30.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.4 mtpt -66.4 166.62 16.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.573 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.03 122.48 7.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.748 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.2 tt -33.74 144.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.578 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.77 83.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 8.4 pt-20 -45.14 116.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.63 -67.19 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.26 121.05 1.78 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 25.8 p -79.32 164.09 24.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 108.32 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.4 m -49.79 161.04 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 110.433 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.36 -47.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.2 t80 59.21 -178.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.699 HG22 ' H ' ' A' ' 5' ' ' GLY . 1.4 p -135.88 -166.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.699 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 174.01 -32.93 0.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.666 HD22 ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -70.01 155.07 41.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 70.2 p -66.79 114.03 5.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.003 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 178.17 -92.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -46.9 -49.97 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -68.14 -29.54 68.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -110.62 44.15 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 108.307 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -115.29 54.58 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.002 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -94.2 151.29 39.44 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.002 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 2.94 6.09 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.8 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.57 -25.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 5.51 44.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -129.81 20.78 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -76.22 135.97 39.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 19' ' ' VAL . 93.4 t -95.41 -3.12 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.6 t0 49.74 99.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -22.58 62.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.48 92.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -138.35 149.06 61.82 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.641 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.49 84.32 7.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.587 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.0 m -94.79 134.89 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.542 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -149.98 171.21 6.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 39.41 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.442 1.759 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.43 -44.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.562 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.4 tt0 -72.91 -40.51 65.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.84 -30.68 67.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 108.239 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -92.79 1.98 56.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.5 t-20 -102.5 -40.29 6.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.53 -28.49 67.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.32 75.54 0.31 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.43 -159.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 m -121.47 150.92 40.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -116.02 173.1 6.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 29.0 t70 179.12 144.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.617 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.2 p -133.77 15.92 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -50.52 72.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.806 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.56 136.16 12.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.99 -38.73 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.84 -31.99 0.49 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.806 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -101.47 170.41 6.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 91.6 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.617 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -33.47 -52.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 108.02 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.17 112.26 24.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 108.295 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -132.65 161.43 33.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.0 mtpt -64.92 163.72 27.23 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.01 116.93 4.73 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.523 1.801 . . . . 0.0 111.047 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.1 tt -33.09 131.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.756 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -63.24 77.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 6.4 pt-20 -48.17 117.0 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -156.7 100.46 1.93 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 57.1 89.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.8 t -158.29 -65.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.338 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -47.34 -42.14 20.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.416 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.0 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 176.33 74.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -138.48 121.76 17.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 4' ' ' VAL . 7.7 p -175.26 65.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -127.9 113.35 1.64 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.14 46.55 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.691 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 10.9 p 174.6 122.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 84.38 -67.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -53.82 -37.49 63.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -77.74 -37.51 49.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.335 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 41.75 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -100.12 40.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.958 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.06 152.45 41.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.958 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.02 -59.48 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.529 1.805 . . . . 0.0 110.992 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.079 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.72 -23.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.95 4.49 53.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.52 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -121.66 11.12 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.0 mmt85 -77.18 118.67 19.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -85.22 -8.36 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.8 t70 58.75 118.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -85.32 -26.06 26.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.248 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.8 90.14 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.586 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.5 m-85 -139.26 147.46 53.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -74.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.616 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.32 82.76 7.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.57 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.586 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.7 m -94.64 138.46 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.541 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -151.57 170.93 7.13 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 39.97 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 10.8 tptm -178.32 -47.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.587 ' OE2' ' CE1' ' A' ' 25' ' ' HIS . 2.2 tp10 -68.9 -43.39 75.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -65.97 -37.52 86.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 108.341 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -83.55 -8.33 59.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 12.2 t-20 -93.76 -41.22 9.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.532 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.15 -22.45 28.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.47 72.01 0.47 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.01 -156.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.495 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -122.93 151.67 41.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.6 t80 -117.31 173.87 6.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.566 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 33.2 t70 -179.58 142.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.628 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.6 p -136.11 16.33 3.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.71 -37.89 88.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.487 HD13 HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -153.42 132.31 6.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -34.19 3.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.87 -40.67 2.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.46 1.1 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.079 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -95.1 172.89 4.91 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 93.25 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.462 1.769 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.628 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.79 -54.24 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 107.983 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -93.8 112.24 24.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 108.349 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.3 p90 -132.65 164.58 26.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -63.27 162.36 25.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.97 121.44 6.59 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.783 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -35.25 126.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.87 68.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.653 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.3 pm0 -43.92 118.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.56 38.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -163.87 175.21 10.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.5 m -79.91 -55.51 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 108.269 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.1 m 56.33 80.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.0 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.013 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 179.99 102.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.7 t80 177.57 103.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 4' ' ' VAL . 8.3 p -175.88 48.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 53.86 58.13 13.68 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.622 HD13 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -92.91 26.59 2.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.7 p -177.28 -169.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.781 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -94.51 29.66 2.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -54.23 -55.66 25.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -64.55 -29.0 70.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -113.84 46.43 1.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.781 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -116.94 52.51 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.967 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.3 150.39 38.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.967 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 3.12 5.89 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.789 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.761 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.83 -22.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.52 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -90.63 5.3 48.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.495 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.41 21.54 5.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.824 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.2 mmt180 -76.05 136.35 39.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' A' ' 20' ' ' ASP . 12.5 t -96.4 0.07 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.4 t70 46.12 97.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -68.85 -23.79 64.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 108.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.23 93.77 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.523 1.139 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.8 m-85 -139.29 148.51 57.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.642 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.11 84.72 6.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.621 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.578 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -95.72 137.11 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -151.23 172.15 5.69 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.411 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 40.22 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.1 tttt -178.84 -49.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.581 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.3 tt0 -66.55 -44.26 82.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.59 -34.94 79.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.274 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 12.7 t30 -89.31 -1.42 58.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.5 t30 -96.15 -38.59 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.72 -27.02 68.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.99 74.57 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.27 -158.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.2 m -122.02 151.06 41.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.287 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.4 t80 -115.95 173.14 6.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 30.6 t70 179.55 144.0 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.7 p -133.39 16.3 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.66 -51.87 67.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.806 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.86 135.04 13.29 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -37.64 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.05 -30.37 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.806 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -103.04 171.06 5.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 92.08 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -34.31 -52.94 0.49 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 107.969 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.7 t -93.9 111.59 23.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 108.336 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.824 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.9 p90 -131.87 161.8 32.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -64.44 163.22 27.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.495 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 116.41 4.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.776 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -33.27 133.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.741 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -64.31 75.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER -52.47 98.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -149.73 -69.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.74 -173.42 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 17.5 m -56.58 146.9 23.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 46.4 p -56.17 -58.2 8.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 61.7 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -95.17 -179.08 4.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.744 ' HB2' HD23 ' A' ' 6' ' ' LEU . 24.4 t80 -107.16 -46.79 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t 73.75 59.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.24 -23.28 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.744 HD23 ' HB2' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -75.16 148.48 39.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.44 ' N ' HD12 ' A' ' 6' ' ' LEU . 2.4 p 54.35 -174.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -91.6 26.35 2.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -46.0 -43.52 14.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.3 mp0 -75.53 -29.86 59.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -111.06 43.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -114.29 53.93 0.78 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.941 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.68 149.85 36.63 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.941 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.99 2.93 6.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.755 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.22 -20.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.521 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.45 5.3 49.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.26 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.491 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.89 21.62 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.831 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.9 mmt180 -75.33 137.17 40.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 20' ' ' ASP . 20.7 t -96.93 -4.03 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.0 OUTLIER 49.4 99.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.51 -23.89 61.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.294 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.86 93.52 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.8 m-85 -138.76 148.62 59.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -77.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.642 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -86.28 82.32 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.58 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.0 m -92.44 136.06 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.502 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.9 p -151.06 170.2 8.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.613 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.95 39.51 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.79 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.7 tp10 -76.02 -40.01 54.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.14 -29.25 63.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 108.28 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.422 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -94.23 2.24 55.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.3 t30 -103.1 -42.37 5.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -28.25 59.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.93 75.22 0.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.438 1.086 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.77 -159.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 m -121.05 152.09 39.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 108.349 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.613 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.4 t80 -117.39 173.28 6.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.553 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.0 t70 179.53 145.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.0 p -136.56 16.32 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -46.76 87.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.779 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -146.09 133.48 10.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 -37.81 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.88 -29.13 0.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.779 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -104.26 170.98 5.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 91.56 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.0 m0 -33.76 -53.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.017 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -93.13 113.32 25.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.262 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.831 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.9 p90 -134.08 162.42 32.15 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -66.06 163.54 36.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 118.51 5.29 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.662 HD23 ' C ' ' A' ' 52' ' ' LEU . 3.3 tt -33.11 137.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -55.99 86.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -65.64 87.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.06 134.87 50.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -151.78 115.46 4.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 t 56.26 97.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.339 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 t -143.35 -47.74 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.382 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.9 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -143.61 -67.13 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -168.74 173.07 7.46 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 4' ' ' VAL . 5.7 p -175.4 103.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.82 104.25 2.07 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.97 76.01 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.3 p -177.65 -93.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.789 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -137.93 12.91 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -56.86 -48.33 78.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -67.62 -37.42 82.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.255 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.52 45.52 1.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 108.281 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.789 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -103.69 44.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.965 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -99.45 155.76 36.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.965 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -58.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.477 1.777 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.904 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.46 -25.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -4.62 57.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -113.56 14.65 19.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.788 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 4.8 mmt180 -77.03 103.03 6.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 20' ' ' ASP . 40.4 t -64.83 -14.68 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.6 t70 59.46 117.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -22.01 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 108.3 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.86 90.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.597 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 10.2 m-85 -135.31 149.07 68.76 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -73.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.46 1.769 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.634 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.63 84.82 6.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.613 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 22.3 m -96.31 139.32 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.557 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.4 p -153.16 172.06 6.08 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.371 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.616 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 40.48 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.446 1.761 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -178.86 -50.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.509 ' HB3' HG23 ' A' ' 27' ' ' THR . 3.2 tt0 -65.6 -45.03 84.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -63.2 -35.51 80.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 108.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 9.3 t30 -88.96 -1.7 58.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.6 t30 -96.0 -37.94 10.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.06 -28.24 69.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.31 73.98 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 172.25 -159.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -120.57 151.67 39.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 108.289 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.616 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.7 t80 -115.98 172.81 6.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 33.4 t70 -179.53 141.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.626 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.3 p -134.87 17.14 3.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -41.9 96.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.84 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.59 132.91 8.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.432 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 -36.83 2.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.93 -27.69 1.06 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.474 1.108 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.904 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.58 170.65 5.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 0.737 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 89.82 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.626 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -32.27 -53.95 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 108.01 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 t -94.63 114.9 26.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.317 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.788 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.6 p90 -134.8 164.95 26.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.3 mtpt -64.79 162.87 32.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.05 125.68 9.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.725 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -37.29 137.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.14 74.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.593 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -45.61 115.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.0 179.19 7.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -66.35 -178.35 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.5 m 74.74 116.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 108.272 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.0 t -57.95 161.9 3.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.72 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.331 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -137.41 155.9 48.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 m -145.51 -170.47 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -168.05 -94.72 0.1 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.7 OUTLIER 34.4 87.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.747 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 1.6 p 161.69 -27.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.796 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 173.86 -33.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -55.88 -50.6 70.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -69.0 -36.55 77.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.63 44.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.796 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -100.09 38.85 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.951 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.84 151.57 39.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.951 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 -59.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.043 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 162.14 -23.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 3.47 55.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.548 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -120.63 11.27 11.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.742 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.8 mmt85 -77.23 119.62 21.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.4 t -85.83 -9.18 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER 59.74 116.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.275 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.47 -22.67 28.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 108.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.15 92.41 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.9 m-85 -139.71 149.06 58.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.479 0.752 . . . . 0.0 111.035 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -76.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.817 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.637 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.79 83.85 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.572 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.8 m -94.7 136.66 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.547 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -151.51 171.48 6.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 39.8 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.789 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.88 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.583 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.7 tt0 -70.77 -41.12 72.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -69.77 -32.82 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 108.263 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.458 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -90.17 -2.03 58.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.8 t-20 -98.18 -41.44 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.366 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.53 -29.53 64.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.93 75.08 0.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.48 -159.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -120.19 152.18 38.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 108.296 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.1 t80 -117.9 173.37 6.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.558 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 31.7 t70 -179.85 144.41 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.636 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.2 p -138.62 14.55 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 109.954 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -60.94 -35.05 75.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.545 HD13 HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.36 132.56 6.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.478 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -35.95 2.88 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.537 1.809 . . . . 0.0 111.059 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.37 -42.5 1.83 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.043 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -93.07 172.23 6.32 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 93.02 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.636 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.8 m0 -32.8 -54.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 108.013 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.71 114.34 26.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 108.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.742 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.7 p90 -134.52 163.51 29.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -61.78 162.08 18.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.03 120.66 6.15 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.571 ' HB2' HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -37.12 139.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.35 84.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -59.7 91.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.241 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -113.84 89.09 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -32.44 37.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 99.2 m 59.5 178.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 59' ' ' PHE . 2.3 t -43.54 -49.39 7.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.4 ' N ' HG23 ' A' ' 58' ' ' THR . 1.2 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.289 -0.264 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.09 148.24 27.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -82.53 -175.47 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 4' ' ' VAL . 2.3 t 65.98 92.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.237 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.669 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -82.45 5.01 75.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.669 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 38.03 90.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 9' ' ' ASN . 18.1 p 52.7 -174.8 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.948 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 66.97 -74.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -52.34 -66.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -37.39 60.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.35 39.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 9' ' ' ASN . . . -98.72 41.44 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.968 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.69 153.15 42.32 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.968 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 -59.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.481 1.779 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.082 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.92 -23.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.27 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.98 1.1 57.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -117.73 11.33 13.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.737 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.4 mmt85 -77.21 117.31 18.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 t -83.62 -9.57 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 60.08 119.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.78 -26.28 27.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.323 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.98 88.79 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.2 m-85 -139.3 146.83 50.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -69.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.461 1.769 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.6 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -90.61 83.73 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.596 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.3 m -97.15 135.92 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.571 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.6 p -149.93 171.99 5.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 40.25 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.466 1.771 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.57 -49.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.557 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.8 tt0 -67.29 -43.08 82.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.334 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.571 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -64.75 -39.47 93.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.315 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -82.26 -7.36 59.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 44.8 t-20 -93.22 -38.35 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.599 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -60.59 -22.73 64.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.98 72.94 0.51 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.35 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.7 m -123.12 150.74 42.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 108.246 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.3 t80 -115.31 173.62 6.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.142 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 35.4 t70 178.43 141.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.611 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.2 p -135.55 17.95 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -37.77 83.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.693 HD13 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -155.89 135.63 8.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -36.84 2.31 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.492 1.785 . . . . 0.0 111.042 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.6 -34.03 0.66 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.082 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -101.23 170.48 6.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 91.83 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.611 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.1 m0 -32.77 -53.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.43 111.97 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 108.268 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.737 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -132.25 164.85 25.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -64.36 163.22 27.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 120.57 6.13 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.788 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.8 tt -34.37 123.82 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.706 ' H ' ' NE2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -67.9 61.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.252 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.718 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -37.61 124.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -169.92 -66.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -172.34 93.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.83 -63.33 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 m -69.57 120.77 15.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -99.95 140.05 34.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -63.88 169.59 4.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.458 ' CG1' ' CD2' ' A' ' 6' ' ' LEU . 4.5 t -147.57 114.36 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.92 101.86 0.7 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' CD2' ' CG1' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -111.84 -16.91 13.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 78.2 p -161.42 162.93 30.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 74.07 -82.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -49.22 -42.61 40.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 6.6 tt0 -73.33 -31.38 63.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 m -114.06 46.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -116.2 54.57 0.83 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.015 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.16 151.66 43.27 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.015 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 2.09 7.01 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.447 1.762 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.983 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.48 -26.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.47 6.69 36.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.497 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -130.45 20.3 5.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.9 OUTLIER -76.5 136.29 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 19' ' ' VAL . 77.9 t -96.3 -2.11 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.0 t0 48.63 99.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.77 -23.56 61.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.2 93.89 0.04 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.095 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.5 m-85 -139.55 148.69 57.16 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -75.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.451 1.764 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.643 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.66 84.61 6.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.619 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.5 m -95.42 134.93 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.545 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.3 p -150.6 171.41 6.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.577 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 38.65 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.9 -43.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.586 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.6 tt0 -74.4 -37.88 63.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.262 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.02 -27.14 59.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.263 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.455 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.2 m120 -94.54 0.42 55.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.6 t30 -101.61 -42.27 6.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -29.67 62.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.91 76.19 0.34 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.48 -158.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -121.5 151.35 40.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.1 t80 -117.18 173.41 6.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 -179.89 145.56 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.611 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 78.2 p -134.67 14.11 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.965 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.98 -53.21 60.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.584 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.69 135.81 15.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -37.83 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.45 -42.5 1.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.983 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.31 171.24 8.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.254 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.97 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.611 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.43 -53.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 107.998 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -93.95 111.02 22.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 108.299 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -130.88 162.45 29.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.3 mtpt -65.41 166.57 13.41 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 122.28 7.1 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.784 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.59 128.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.518 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -66.95 59.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.758 ' N ' HD23 ' A' ' 52' ' ' LEU . 5.4 pt-20 -38.46 117.29 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 57' ' ' CYS . . . -155.96 98.92 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 70.11 -60.24 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -164.54 -60.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 108.291 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 t -172.41 -45.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.4 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 111.015 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -172.0 98.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -148.08 139.17 23.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 4' ' ' VAL . 7.7 p -166.35 81.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.849 ' C ' HD13 ' A' ' 6' ' ' LEU . . . -125.42 -2.44 7.55 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.504 1.128 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.849 HD13 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -113.81 158.91 20.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 0.749 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 25.2 p 60.7 102.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 83.22 -66.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.403 ' O ' ' CB ' ' A' ' 12' ' ' ALA . 16.0 m-80 -47.55 -68.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.492 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 6.2 pt20 -46.13 -41.85 13.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.492 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.8 OUTLIER -103.32 43.49 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 108.293 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -99.83 38.21 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.15 150.76 40.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 -55.99 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.119 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 157.97 -21.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.15 2.52 55.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.1 m-20 -120.07 11.7 11.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.711 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.2 mmt85 -76.35 117.49 18.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -81.78 -9.37 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.493 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 51.6 t0 58.46 115.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -84.89 -24.31 28.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 108.247 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.87 91.74 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.3 m-85 -137.37 148.62 62.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.487 1.783 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.612 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -90.8 85.44 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.57 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.599 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.7 m -96.63 138.71 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.552 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.4 p -152.74 170.38 8.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 40.07 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.29 -44.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.602 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.3 tt0 -72.47 -41.83 65.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.536 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -68.1 -37.08 80.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 108.298 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -83.53 -5.29 59.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 22.1 t-20 -98.02 -39.51 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -57.71 -25.85 60.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.12 72.91 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.19 -157.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.502 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -121.5 151.11 40.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 108.311 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.9 t80 -116.41 173.66 6.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.3 t70 178.58 142.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.8 p -135.14 15.81 3.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -60.18 -41.65 93.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.588 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.66 133.94 8.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.438 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -34.97 3.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.429 1.752 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.56 -33.61 1.0 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.119 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -101.22 171.05 5.78 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 109.372 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 90.39 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.979 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.0 m0 -31.43 -56.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 107.988 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -92.23 109.68 21.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 108.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.711 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.2 p90 -130.11 165.7 21.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.497 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.8 mtpt -66.48 163.72 38.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.497 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 126.19 9.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.74 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -36.23 132.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.74 75.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.53 ' N ' HD23 ' A' ' 52' ' ' LEU . 8.0 pt-20 -44.41 118.0 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -161.34 -69.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -46.56 -54.65 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 110.32 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.03 171.81 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.5 p -95.83 175.52 6.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.8 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.414 ' O ' HD21 ' A' ' 6' ' ' LEU . 3.4 pt-20 -169.56 -57.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 110.313 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.537 ' CD1' ' C ' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -96.46 94.26 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -141.39 47.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 127.66 -67.15 0.55 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.68 HD13 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -42.04 160.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 p 73.64 -178.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -106.18 12.32 30.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -44.36 -35.74 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.1 tt0 -81.0 -34.43 32.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.1 m -113.69 46.66 1.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 108.321 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -116.07 55.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.033 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.05 152.06 42.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.033 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 3.28 5.77 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.897 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 84.55 -26.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.2 4.52 45.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -128.36 20.9 6.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.804 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -76.3 138.44 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 19' ' ' VAL . 55.1 t -98.15 -0.17 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 19' ' ' VAL . 5.6 t70 46.09 97.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -23.66 63.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 108.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.84 94.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.4 m-85 -140.3 148.56 54.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -77.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.542 1.811 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.602 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -87.7 85.74 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.526 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.3 m -96.87 136.0 29.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.555 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -150.55 171.64 6.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 110.46 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 39.33 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.58 -44.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.602 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -72.52 -39.1 67.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -72.53 -33.07 66.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 108.311 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -85.34 -6.41 59.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 16.2 t-20 -99.1 -40.26 8.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.54 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 3.4 tpt180 -55.1 -26.0 35.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 118.65 72.62 0.41 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.91 -158.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.9 m -120.2 151.43 39.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.302 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -116.03 173.32 6.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.2 t70 179.62 142.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.615 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.9 p -131.54 14.4 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 -54.05 49.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.238 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.692 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.85 136.27 16.13 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -37.59 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.64 -40.57 2.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.897 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -92.86 171.2 7.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 0.782 . . . . 0.0 109.34 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.99 93.2 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.514 1.797 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.615 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -34.27 -52.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 108.023 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.41 111.64 23.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.804 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -131.6 161.26 33.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.549 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.5 mtpt -64.64 165.88 13.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.93 121.59 6.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.747 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -33.8 135.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -66.03 74.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.488 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -42.75 127.9 4.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.37 -66.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -122.95 170.18 10.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 73.65 -60.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.316 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.0 p -40.27 -60.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 179.56 -63.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -113.12 87.81 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.69 110.03 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.52 105.0 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.452 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -121.46 -56.98 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.262 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.691 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 80.4 p -149.16 143.94 26.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.036 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 84.16 -71.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -49.48 -33.23 13.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.1 pt20 -81.06 -37.88 28.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.9 43.88 1.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 108.27 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -101.01 39.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.013 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.04 153.59 43.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.013 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 -59.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.016 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.21 -24.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.9 0.59 57.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.538 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -118.25 12.82 13.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.8 mmt85 -76.2 112.22 12.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 19' ' ' VAL . 2.2 t -73.43 -13.04 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER 60.05 118.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.01 -13.68 55.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.45 79.0 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.656 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -144.85 147.74 36.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.97 -87.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.452 1.764 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.426 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -58.04 84.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.65 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.561 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.3 m -113.46 119.55 61.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.53 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -137.83 171.9 7.65 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 37.87 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.8 tmtt? -174.74 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.93 -38.1 46.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -74.3 -26.89 60.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 108.325 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -96.43 2.54 52.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 6.7 t30 -100.23 -43.84 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.656 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.96 -34.06 65.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.46 71.64 0.18 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.76 -157.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.5 m -122.66 149.16 44.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.6 t80 -116.87 173.81 6.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.3 t70 179.89 143.97 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.631 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.2 p -136.28 14.43 3.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.007 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -58.88 -43.69 90.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.776 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.55 134.04 9.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 -33.15 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 111.03 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.49 -31.34 2.4 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.016 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -101.76 170.77 6.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 87.72 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.631 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -29.41 -56.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 108.038 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -92.46 114.39 26.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.281 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -135.5 164.35 28.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.3 mttt -63.97 161.96 34.29 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.5 Cg_endo -74.97 125.3 9.26 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.462 1.77 . . . . 0.0 111.025 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.749 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -35.82 134.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.432 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -65.16 74.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.534 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.1 pp20? -44.24 120.31 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.92 162.42 39.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.73 150.69 46.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.4 t 76.05 -67.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.274 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.429 HG23 ' H ' ' A' ' 58' ' ' THR . 82.2 p -39.59 -32.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 176.79 179.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -137.35 163.84 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.8 p -164.79 105.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.873 ' C ' HD13 ' A' ' 6' ' ' LEU . . . -164.1 100.47 0.18 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.873 HD13 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -119.99 -41.79 2.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.326 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.654 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 2.2 p 177.74 85.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 166.31 -76.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -52.43 -53.31 46.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -63.73 -28.57 69.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.85 46.16 1.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.272 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.71 46.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.921 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.68 149.09 50.51 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.921 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.98 1.33 7.85 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.451 1.763 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.023 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.08 -24.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.97 13.63 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.537 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -136.73 16.25 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.684 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.1 mmt85 -76.02 118.31 18.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' A' ' 20' ' ' ASP . 97.2 t -81.74 -9.09 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 59.01 116.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.16 -19.8 35.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 108.338 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.51 92.45 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.4 m-85 -139.48 148.3 55.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 111.025 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -76.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.645 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.44 83.47 7.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.599 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.1 m -94.2 134.98 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.526 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -150.57 170.83 7.15 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.0 39.12 0.57 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.47 1.774 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 7.0 tmtm? -177.23 -41.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.508 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.7 tt0 -76.14 -39.04 55.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -73.22 -29.47 62.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.078 . . . . 0.0 108.308 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -94.13 2.55 55.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 8.6 t30 -103.36 -40.59 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.29 -31.21 67.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.79 75.16 0.21 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.87 -159.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -120.16 152.84 37.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.5 t80 -119.2 173.5 6.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.077 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.5 t70 -179.03 144.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.63 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.8 p -134.63 13.84 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -49.64 75.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.607 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.63 136.94 13.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.03 -37.21 2.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.77 -44.26 1.34 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.023 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.18 169.47 11.5 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 90.85 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.63 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.2 -56.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.038 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 t -90.0 119.78 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.301 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.684 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -142.49 164.35 30.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.7 mttt -67.84 163.59 48.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 123.13 7.66 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.445 1.761 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.3 tt -32.44 138.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.762 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -65.25 73.66 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 4.7 pt-20 -43.61 120.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.092 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.72 104.2 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -64.71 147.7 52.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.7 t -173.02 66.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 108.305 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.8 t -109.51 140.39 43.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -160.49 118.17 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.781 ' O ' HG23 ' A' ' 4' ' ' VAL . 7.3 t80 -37.73 136.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -173.2 95.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.88 100.19 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.833 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -74.99 -85.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 6' ' ' LEU . 1.1 p 36.54 -100.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 110.016 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.879 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -154.41 20.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.73 -60.28 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -61.89 -25.01 67.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.06 48.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.879 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -111.23 43.87 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.875 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.4 147.37 46.83 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.875 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.94 0.86 8.36 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.02 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.07 -20.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.18 11.36 28.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.52 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.94 16.67 3.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.666 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.2 mmt85 -75.78 115.41 15.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.8 t -80.76 -8.6 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.3 t70 58.9 117.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.86 -18.27 38.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.38 92.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 11.7 m-85 -140.9 146.4 43.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -75.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.641 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -87.52 84.34 7.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.651 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.1 m -96.21 134.88 32.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.547 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.8 p -150.38 171.67 6.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.557 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 39.43 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.44 1.758 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.29 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 7.4 tt0 -73.87 -37.54 64.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.2 -27.6 59.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 108.307 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.3 m120 -93.84 -0.92 55.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 7.5 t-20 -100.68 -43.29 6.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.55 -31.83 57.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.05 75.47 0.23 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.22 -159.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.92 153.07 36.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.088 . . . . 0.0 108.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.4 t80 -118.06 173.35 6.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.6 t70 -179.11 142.18 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.423 1.077 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.626 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.3 p -133.23 15.66 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.054 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.1 ttt-85 -58.26 -51.1 71.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.607 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.31 137.12 14.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.97 -36.72 2.41 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.806 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.54 -43.0 1.48 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.02 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.73 169.32 10.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 91.26 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.626 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.2 m0 -29.63 -56.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.025 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 t -90.41 117.58 29.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 108.331 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.666 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.9 p90 -139.35 165.23 27.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -66.93 163.65 42.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.251 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.0 121.83 6.83 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.785 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -32.44 138.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.706 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -59.35 82.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 110.297 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.502 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 5.0 pt-20 -50.13 116.54 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.06 151.01 36.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -69.73 95.41 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 -58.88 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 108.325 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 m 49.13 75.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 40.8 36.45 0.41 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -165.13 159.82 18.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.69 HG23 ' N ' ' A' ' 5' ' ' GLY . 8.8 m -108.03 -141.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.69 ' N ' HG23 ' A' ' 4' ' ' VAL . . . 123.51 2.52 8.89 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.954 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -116.38 155.83 27.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.796 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.686 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 90.9 p -56.05 115.01 2.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 163.91 -89.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -46.44 -52.32 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.12 -29.0 70.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.265 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -112.06 45.51 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.29 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.67 49.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.886 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.9 148.9 40.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.886 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.95 1.95 7.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.541 1.811 . . . . 0.0 111.021 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.015 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.12 -20.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.06 6.96 44.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.51 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -131.61 20.49 4.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.807 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.8 mmt180 -75.44 126.41 30.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 19' ' ' VAL . 91.5 t -89.33 -2.16 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.5 t0 39.34 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -14.85 62.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.368 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.55 102.74 0.04 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.142 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 19.1 m-85 -141.74 145.59 37.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.597 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -81.07 82.6 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -91.47 137.47 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.55 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.0 p -152.22 170.23 8.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 39.16 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.87 -41.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.7 tt0 -75.94 -38.91 57.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -73.14 -28.55 62.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 108.303 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.3 m120 -90.36 -4.58 56.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.1 t30 -99.9 -41.53 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.21 -24.16 25.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.04 73.09 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 173.29 -154.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.489 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.6 m -126.15 149.26 49.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.1 t80 -115.61 173.51 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.989 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.3 t70 -176.99 142.95 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.603 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.2 p -133.65 13.92 4.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 110.04 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -61.48 -48.32 81.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.347 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.538 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.05 132.58 12.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -36.93 2.24 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.533 1.807 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.34 -46.72 2.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.015 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -86.62 171.6 9.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.533 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 92.72 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.603 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.4 m0 -32.16 -52.4 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.487 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.3 t -92.8 126.64 37.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 108.267 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.807 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -149.43 165.26 32.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.7 mtpt -68.97 163.74 53.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.483 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -74.99 122.69 7.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.794 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.1 tt -34.32 140.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.794 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -62.28 79.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -54.01 105.27 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -136.95 137.02 39.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.16 122.31 15.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.408 ' C ' HG22 ' A' ' 58' ' ' THR . 26.1 p -63.62 169.95 3.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 108.27 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.408 HG22 ' C ' ' A' ' 57' ' ' CYS . 1.3 t 39.28 68.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.373 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 58' ' ' THR . 7.8 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -159.35 -174.51 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -123.06 159.89 27.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.8 t -138.82 114.69 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -125.07 -1.64 7.96 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.737 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -122.79 58.91 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 0.799 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 91.9 p -138.23 -44.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.665 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 176.96 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ALA . 40.7 m-20 -36.53 -37.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -50.27 10.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -106.39 46.74 0.91 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.665 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -110.3 54.46 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.877 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -96.94 148.25 34.12 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.877 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 1.57 7.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.037 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.53 -20.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.39 6.78 44.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -131.2 20.43 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.815 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -76.12 126.54 31.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.3 t -90.06 -7.85 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.6 t70 55.81 109.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -19.78 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 108.26 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.66 91.38 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.586 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.3 m-85 -140.02 148.34 54.44 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -71.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.611 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -91.91 86.89 6.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.591 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.57 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.2 m -98.41 133.25 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.559 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.9 p -147.49 172.13 5.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.627 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 39.44 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.479 1.779 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -177.79 -45.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.601 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.2 tt0 -71.3 -39.68 71.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.42 -38.04 74.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.173 . . . . 0.0 108.271 -179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -83.9 -1.95 55.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.8 t30 -101.5 -37.83 8.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.586 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -59.22 -29.3 67.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.11 72.61 0.21 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 168.98 -158.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -119.63 152.06 37.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 108.31 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.627 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.5 t80 -115.88 173.27 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.1 t70 -179.03 142.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.0 p -133.75 16.34 3.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -49.12 78.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.583 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.48 136.8 13.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.98 -37.64 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.547 1.814 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.44 -43.55 1.54 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.037 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.6 169.32 11.49 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.554 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 92.21 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -30.83 -54.02 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 107.979 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -93.49 112.81 24.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.815 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.6 p90 -133.13 167.44 20.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -68.76 163.91 50.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 121.61 6.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.735 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.1 tt -33.18 136.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.463 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -63.54 77.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 10.5 pt-20 -46.65 115.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.265 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -137.02 -64.17 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.35 171.61 1.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.7 139.62 37.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 108.275 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.4 t -129.61 163.99 24.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 110.366 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.5 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 179.984 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -121.56 125.31 46.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -175.36 126.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.436 ' CG1' ' HB2' ' A' ' 9' ' ' ASN . 4.4 t -139.85 152.2 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.18 28.66 0.19 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.713 ' N ' HE22 ' A' ' 10' ' ' GLN . 0.5 OUTLIER -130.23 93.47 3.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.706 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 86.1 p 40.22 92.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 159.67 -94.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.436 ' HB2' ' CG1' ' A' ' 4' ' ' VAL . 33.2 t-20 -44.83 -48.66 11.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.713 HE22 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -66.6 -30.47 70.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 110.334 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -110.54 44.68 1.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.54 52.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.986 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.86 150.87 41.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.986 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 1.07 8.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.437 1.756 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.013 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.36 -27.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.3 7.99 29.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.349 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -131.71 20.22 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.829 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.5 mmt180 -76.01 136.6 39.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 20' ' ' ASP . 38.7 t -96.46 -4.14 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.446 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.4 t0 51.12 102.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -26.57 64.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 108.345 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.46 89.07 0.11 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 6.8 m-85 -138.31 148.49 59.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -72.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.629 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -90.74 84.06 5.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.564 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.6 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -95.48 118.75 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 29' ' ' LYS . 7.8 p -129.16 169.31 13.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.438 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.63 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 38.72 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.59 -38.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.517 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.9 tt0 -77.72 -41.99 35.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -65.72 -36.62 84.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.317 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.44 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -84.33 -4.81 59.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.3 t30 -99.49 -38.97 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.589 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -58.3 -26.61 63.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.69 72.49 0.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 169.95 -158.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.1 m -121.85 150.61 41.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.7 t80 -114.16 173.28 6.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 23.2 t70 -179.86 141.1 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.606 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.1 p -130.83 16.26 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -51.28 70.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.592 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.71 136.74 14.62 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.05 -38.09 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.62 -45.23 1.94 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.013 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -89.35 170.76 10.08 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.792 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.514 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.07 93.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.606 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -33.5 -51.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.9 t -95.35 111.8 23.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 108.268 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.829 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -132.07 165.07 24.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -68.83 163.49 55.27 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.01 118.54 5.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.762 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.3 tt -32.8 130.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.72 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -63.6 76.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 8.1 pt-20 -46.92 117.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.21 139.82 23.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -170.25 158.01 6.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 28.2 t -158.37 -63.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 108.341 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.0 m -142.6 142.98 32.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 179.976 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 54.56 103.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -167.77 141.98 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.572 HG22 ' H ' ' A' ' 6' ' ' LEU . 7.1 p -176.47 132.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.471 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -84.88 22.31 9.64 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.486 1.117 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.572 ' H ' HG22 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -34.96 99.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.59 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 91.6 p 40.04 90.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 169.96 -72.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -61.03 -55.15 36.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -63.15 -25.82 68.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.92 43.75 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.77 50.17 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.912 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.74 149.3 41.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.912 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 0.5 8.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.81 . . . . 0.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.99 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.02 -14.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.92 2.87 52.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.681 ' HB3' HG12 ' A' ' 13' ' ' VAL . 4.6 t0 -130.15 22.77 5.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.807 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.7 mmt180 -74.49 138.21 43.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.0 t -97.18 -6.9 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.1 t0 51.8 101.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.41 -22.93 61.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.98 91.71 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.1 m-85 -139.49 147.98 54.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.995 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -70.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -92.08 85.49 5.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.593 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.5 m -97.97 132.15 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.552 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -146.95 171.14 6.7 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 38.62 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.496 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.16 -40.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.607 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.2 tt0 -77.42 -35.65 53.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.99 -29.38 58.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.279 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.496 HD22 ' N ' ' A' ' 29' ' ' LYS . 2.3 m-80 -89.97 -3.6 57.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 3.3 t30 -100.21 -41.01 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.593 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.42 -27.56 48.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.07 73.95 0.39 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.19 -158.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -120.5 151.63 39.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.304 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.618 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.4 t80 -116.61 173.26 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 23.1 t70 -179.48 143.61 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.608 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.7 p -134.93 16.92 3.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -47.5 83.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.513 ' H ' HD12 ' A' ' 42' ' ' ILE . 0.7 OUTLIER -144.15 132.17 10.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -36.06 2.74 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.807 . . . . 0.0 110.978 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.71 -36.56 1.1 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.99 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -97.76 171.64 5.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.539 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 91.25 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.608 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -31.8 -53.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 108.037 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 t -92.78 112.1 23.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 108.332 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.807 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.9 p90 -133.4 162.74 31.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.49 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -66.78 163.51 42.27 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.99 119.64 5.74 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.815 HD23 ' N ' ' A' ' 53' ' ' GLN . 3.0 tt -31.63 141.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.815 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -67.8 69.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.333 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 52' ' ' LEU . 1.1 pm0 -39.65 129.32 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -157.74 80.75 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 62.45 159.39 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 21.5 p -116.97 88.72 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.293 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 59' ' ' PHE . 4.2 t -134.13 -49.75 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.381 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.429 ' N ' HG23 ' A' ' 58' ' ' THR . 13.8 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.33 -58.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -161.64 155.65 22.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 5' ' ' GLY . 3.4 p -178.42 77.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 4' ' ' VAL . . . 36.25 88.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.29 -41.34 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.8 p -132.55 -151.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.541 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -100.04 29.41 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -49.98 -53.62 25.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -65.22 -28.59 69.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -113.5 46.15 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 108.268 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -116.2 53.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.93 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.13 149.65 36.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.93 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 1.53 7.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.036 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.29 -20.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.9 4.51 52.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -129.27 21.14 5.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.833 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.2 mmt180 -75.06 137.61 41.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.343 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' ASP . 1.9 t -98.5 -1.46 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.464 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.7 t70 47.6 98.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.86 -25.2 62.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 108.305 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.85 93.48 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.5 m-85 -138.11 148.27 59.34 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -75.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.517 1.799 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.655 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -88.26 84.02 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.1 m -93.89 138.57 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.592 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 2.7 p -150.9 172.38 5.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.87 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -177.53 -54.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.549 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -60.23 -45.65 92.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.243 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -64.24 -35.92 82.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 108.309 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -89.71 3.12 53.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LYS . 15.8 t30 -104.28 -36.29 7.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -26.97 68.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.93 73.1 0.22 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.39 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.5 m -123.4 151.71 42.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.2 t80 -116.39 173.73 6.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.555 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.3 t70 -179.64 144.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.0 p -134.66 14.26 3.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -58.67 -48.9 79.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.547 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.57 134.88 12.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -37.76 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.978 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.96 -43.74 1.82 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.036 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -90.55 170.89 9.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 93.73 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -33.47 -53.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 107.997 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.84 110.04 21.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.833 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -129.96 163.48 26.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.476 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -66.41 164.12 34.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.96 116.77 4.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.511 1.796 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.7 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.6 tt -34.27 131.95 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.443 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -58.33 83.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.315 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -60.64 95.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.28 -59.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -61.2 130.59 47.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 64.3 m -50.93 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 108.303 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.4 m -119.79 -63.26 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.448 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 179.985 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.578 ' O ' HG12 ' A' ' 4' ' ' VAL . 14.4 pt-20 -139.12 -173.04 3.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -37.43 144.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 2' ' ' GLU . 2.4 p 179.12 97.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 4' ' ' VAL . . . 41.08 94.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.4 -44.0 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 0.785 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.3 p -131.29 -149.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.937 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -92.15 28.07 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -52.31 -50.64 61.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -29.28 68.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.3 45.91 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 108.322 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -110.9 43.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.899 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -84.68 147.82 50.05 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.899 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.04 4.04 5.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.973 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.18 -15.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.71 7.03 47.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -130.86 16.96 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.1 mmt85 -75.0 112.43 11.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 60.5 t -78.54 -7.88 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 58.06 114.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -81.49 -20.75 39.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.261 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.08 91.81 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 16.3 m-85 -138.21 146.6 52.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -78.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.423 1.749 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.652 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -86.04 83.62 7.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.589 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.0 m -93.83 138.68 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.7 p -152.78 170.65 7.79 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.411 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.98 40.99 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' A' ' 27' ' ' THR . 5.5 tmtt? -178.71 -47.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.595 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -70.74 -42.89 69.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.2 -30.93 71.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 108.285 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -92.73 2.87 56.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 34.7 t-20 -103.53 -39.29 6.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -59.34 -31.1 68.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.57 73.51 0.18 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.89 -160.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.51 154.13 34.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.7 t80 -118.17 173.29 6.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.56 ' O ' ' CG ' ' A' ' 47' ' ' TRP . 11.1 t70 179.77 145.75 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.652 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.6 p -139.63 16.03 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -61.76 -34.91 76.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.512 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.24 132.43 6.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.429 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -38.03 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.15 -34.42 0.33 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.973 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -100.39 169.19 8.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 89.49 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.652 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 9.5 m0 -28.92 -57.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 108.001 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.401 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.8 t -89.97 117.36 28.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 108.326 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.7 p90 -139.3 165.66 26.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -68.66 164.41 45.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.495 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 124.61 8.76 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.773 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -34.31 137.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.684 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -62.11 79.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 52' ' ' LEU . 5.2 pt-20 -47.32 120.57 3.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -161.15 58.52 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -109.66 -59.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 74.0 m -106.93 -76.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 108.32 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 p -122.09 175.1 6.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.46 77.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.335 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' CE2' ' HG ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -126.95 151.96 47.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.406 ' HB ' ' O ' ' A' ' 3' ' ' TYR . 0.9 OUTLIER -177.84 129.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.713 ' C ' HD13 ' A' ' 6' ' ' LEU . . . 48.55 99.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -104.7 -79.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 p -91.02 -78.18 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -131.48 8.73 4.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -44.93 -26.53 0.43 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.423 ' N ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -91.74 -34.61 14.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -115.39 46.04 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 108.305 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -116.29 55.2 0.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.04 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.29 152.29 42.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.251 -179.977 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.04 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 2.56 6.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.766 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.42 -26.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.12 4.28 46.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -127.91 20.54 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.794 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.39 135.69 39.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 19' ' ' VAL . 53.6 t -94.81 -0.35 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.7 t70 46.47 97.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.86 -25.17 64.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 108.277 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.98 92.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.2 m-85 -137.98 149.84 65.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.559 0.8 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -77.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.462 1.77 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.625 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -88.02 84.69 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.588 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.6 m -95.05 134.42 32.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.551 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -148.59 171.52 6.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 40.44 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.464 1.77 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.55 -47.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.608 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.3 tt0 -69.66 -42.05 74.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -67.9 -33.0 73.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 108.326 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.46 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -90.06 -1.8 58.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.6 t-20 -98.08 -40.1 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -30.5 68.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.47 75.37 0.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.32 -159.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.0 m -121.61 150.53 41.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.6 t80 -115.28 173.07 6.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.546 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.3 t70 179.51 144.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.4 p -133.4 15.43 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -51.75 67.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.807 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.32 134.86 12.82 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -38.06 1.78 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.513 1.797 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.94 -28.49 0.47 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.807 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -104.6 171.01 5.39 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.549 0.794 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 91.16 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.423 1.749 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -33.76 -53.16 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.064 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.6 t -93.91 110.34 22.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 108.285 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.794 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -130.42 161.03 32.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.4 mtpt -63.91 164.87 14.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.03 120.57 6.11 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.814 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -34.89 126.4 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.535 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -60.31 80.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 1.6 pt-20 -64.21 76.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' GLN . . . -122.47 163.35 20.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.0 65.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -102.91 99.82 9.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 108.274 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 m 58.6 96.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.392 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 111.035 -179.987 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -170.61 174.8 4.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.257 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -167.01 165.91 15.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 p -137.98 137.75 44.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.619 ' H ' HD13 ' A' ' 6' ' ' LEU . . . -169.73 30.52 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.125 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.754 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -126.39 43.4 3.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.414 ' O ' ' O ' ' A' ' 8' ' ' ALA . 12.4 p 172.45 -175.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . -51.95 -100.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.521 ' N ' ' HB2' ' A' ' 12' ' ' ALA . 60.7 m-20 47.81 -92.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 8' ' ' ALA . 2.8 tt0 -48.67 -39.25 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.09 48.64 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.266 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.521 ' HB2' ' N ' ' A' ' 9' ' ' ASN . . . -111.68 47.97 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.892 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.21 147.79 45.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.892 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 1.92 7.21 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.0 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.76 -17.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.2 10.16 37.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.488 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -134.19 17.07 3.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.258 179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.665 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.8 mmt85 -74.8 122.05 22.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 52.7 t -86.85 -8.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.6 t0 55.4 108.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.249 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -74.58 -19.8 60.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 108.282 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.36 89.2 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.597 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.6 m-85 -138.29 147.52 55.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 0.761 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -72.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.524 1.802 . . . . 0.0 111.058 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.611 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -90.67 85.62 6.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.58 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.9 m -97.54 132.77 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.56 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.1 p -147.31 171.27 6.53 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.63 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.02 38.76 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.58 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.9 tt0 -74.98 -39.02 61.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -71.18 -36.4 71.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 108.323 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -84.72 -3.51 58.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 15.5 t30 -99.77 -39.8 8.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.597 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -56.97 -29.22 63.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.75 72.76 0.25 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.61 -159.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -118.43 153.17 34.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.6 t80 -118.1 172.83 7.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.548 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 8.0 t70 -177.97 144.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.633 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.3 p -134.97 14.6 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -57.79 -49.8 75.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.555 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.29 135.52 12.56 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 -36.87 2.29 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.36 -41.54 1.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.0 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.4 170.55 8.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.554 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.98 91.71 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.633 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.8 m0 -30.7 -56.81 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 107.97 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -89.52 118.68 29.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 108.327 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.665 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -140.89 166.09 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.5 mtpt -67.02 164.3 36.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.95 123.46 7.93 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.735 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -34.9 134.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.12 69.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.658 ' N ' HD23 ' A' ' 52' ' ' LEU . 7.0 pt-20 -39.47 122.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -176.57 52.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -175.71 -71.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.57 94.17 8.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 108.292 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 m -108.28 -61.26 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.0 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.983 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.37 175.71 9.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 4' ' ' VAL . 8.0 t80 -130.01 161.45 30.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.444 ' N ' ' CG ' ' A' ' 3' ' ' TYR . 2.1 p 178.41 111.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 10' ' ' GLN . . . -148.17 106.12 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.821 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -104.44 58.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.699 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 3.1 p 179.74 107.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 85.19 -69.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' ALA . 6.4 m120 -40.21 -47.76 2.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -75.12 -36.33 61.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -102.17 40.47 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -99.72 36.69 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.006 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -89.31 152.77 48.13 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.006 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.95 -56.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.043 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 158.77 -23.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.64 2.53 56.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -120.69 13.1 11.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 14.2 mmt85 -75.65 112.88 12.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 20' ' ' ASP . 36.0 t -72.64 -13.56 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.9 OUTLIER 59.44 114.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.52 -8.19 59.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 108.296 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.38 83.44 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.1 t80 -149.28 145.72 19.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -79.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.692 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -65.95 96.51 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.632 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 19.1 m -126.41 124.59 65.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.35 173.25 5.33 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.361 -179.947 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 39.73 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.768 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.69 -47.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.53 -39.52 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.8 OUTLIER -71.68 -27.43 63.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.288 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -95.7 3.73 53.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.7 t-20 -101.31 -40.36 7.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -59.4 -28.06 66.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.1 71.92 0.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.88 -154.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.0 m -125.37 150.47 47.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 108.312 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.645 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.6 t80 -117.91 173.63 6.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.038 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.3 t70 -179.13 147.17 0.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.63 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.8 p -139.82 14.25 2.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -40.57 89.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.683 HD13 HG13 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -152.2 134.26 8.54 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -33.77 4.32 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.504 1.791 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.22 -35.56 2.59 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.043 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.57 170.44 7.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.564 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 88.82 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.789 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.63 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -30.12 -57.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.004 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.466 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.3 t -91.26 114.0 26.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.9 p90 -135.57 165.65 25.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.3 mtpt -67.96 162.17 61.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 125.75 9.54 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.789 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -34.89 138.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.738 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -62.21 79.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 5.0 pt-20 -47.73 113.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.74 107.05 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.63 -74.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.26 -70.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 36.6 p -126.13 113.1 16.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.3 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 -179.975 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -149.63 -77.38 0.15 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -130.6 173.36 10.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 p 178.91 105.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.63 -20.07 0.79 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -40.65 -33.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 0.73 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.683 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 28.2 p -112.14 129.48 56.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 82.51 -76.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -40.47 -29.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.45 ' N ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -84.67 -45.41 12.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.8 m -107.78 45.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 108.283 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -113.47 52.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.89 150.25 41.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 3.66 5.44 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.89 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.07 -23.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -89.85 8.64 31.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.946 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -132.64 19.96 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.809 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -75.89 125.97 30.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 19' ' ' VAL . 79.9 t -87.47 -1.85 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.3 t0 39.57 89.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -15.55 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.94 102.24 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 18.9 m-85 -140.67 145.93 42.39 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.759 . . . . 0.0 110.973 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -84.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.46 1.768 . . . . 0.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.631 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -81.25 82.03 7.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.555 -179.953 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.9 m -90.62 136.86 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.561 ' C ' ' CD1' ' A' ' 38' ' ' PHE . 2.7 p -150.48 171.34 6.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 40.04 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -179.55 -46.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.589 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -68.78 -44.13 74.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.516 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.92 -32.04 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 108.256 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.424 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 9.9 t30 -91.58 -1.65 57.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 2.5 t30 -95.89 -38.79 10.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -63.69 -23.0 67.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.8 75.14 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.5 -156.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.2 m -126.44 147.75 49.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 108.347 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.4 t80 -113.64 173.46 6.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.548 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.8 t70 -178.65 142.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.602 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.6 p -132.34 14.73 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -60.35 -49.63 76.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.625 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.28 133.65 14.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.456 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -38.6 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.39 -44.15 2.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.541 1.15 . . . . 0.0 111.055 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.89 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -88.28 170.8 10.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 91.62 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.602 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.43 -52.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.475 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 5.5 t -93.03 127.06 38.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.809 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -148.88 163.88 36.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.8 mtpt -66.78 165.0 28.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.508 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 123.03 7.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.85 129.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.562 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -62.04 77.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 1.6 pp20? -48.38 117.56 2.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -165.64 46.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 41.1 53.09 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -134.85 110.13 8.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 108.277 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 58' ' ' THR . 6.4 t -175.08 85.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.404 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.999 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -92.4 173.34 7.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 110.238 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.439 ' OH ' ' O ' ' A' ' 57' ' ' CYS . 3.8 p90 -133.3 153.54 51.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.597 HG23 ' N ' ' A' ' 5' ' ' GLY . 29.0 m -146.97 -134.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.597 ' N ' HG23 ' A' ' 4' ' ' VAL . . . -157.07 54.25 0.4 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -39.31 97.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 5' ' ' GLY . 3.0 p 169.72 -96.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.955 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.582 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -125.81 1.27 7.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -46.17 -25.03 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -94.24 -36.98 11.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.938 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -115.04 45.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 108.296 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.582 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -114.87 56.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.008 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -94.36 151.4 39.38 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.008 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.5 Cg_endo -74.91 3.24 5.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.775 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 84.98 -27.14 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.69 6.62 33.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.493 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -130.38 20.27 5.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.793 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.93 133.27 39.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 20' ' ' ASP . 21.6 t -92.54 -3.48 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.441 ' O ' ' O ' ' A' ' 19' ' ' VAL . 8.3 t0 50.53 101.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -24.68 61.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 108.333 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.95 93.76 0.05 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.048 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.4 m-85 -139.28 148.0 55.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -72.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.484 1.781 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.618 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.4 OUTLIER -91.57 86.69 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.571 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.2 m -97.96 137.88 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.548 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.4 p -151.75 171.06 6.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 39.59 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.96 -45.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.97 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.6 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -70.58 -42.69 70.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.255 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -66.88 -37.13 83.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.276 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -84.12 -4.33 58.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 25.5 t30 -98.5 -38.95 8.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -58.84 -27.61 65.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.22 72.84 0.29 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.4 -158.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.9 150.62 40.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.5 t80 -114.83 173.03 6.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 19.3 t70 179.5 141.95 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.604 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 84.9 p -131.35 17.09 4.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.949 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.409 ' HB3' HG13 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -58.83 -52.15 66.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.804 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 135.07 13.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.945 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -37.7 1.89 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -41.93 -30.28 0.66 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.804 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -102.92 170.98 5.62 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 91.55 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.781 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.604 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -34.03 -53.17 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 107.963 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.5 t -94.3 109.18 21.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.793 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -129.03 162.86 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.2 mttt -64.41 163.53 25.38 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.1 Cg_endo -75.02 118.92 5.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.785 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.6 tt -35.08 130.64 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.56 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -61.5 79.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LEU . 5.3 pt-20 -46.79 119.98 2.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -159.05 -65.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -46.02 171.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.439 ' O ' ' OH ' ' A' ' 3' ' ' TYR . 1.2 m 67.53 65.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -94.69 -65.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.6 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.95 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -70.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 t80 178.67 158.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.43 HG23 ' N ' ' A' ' 5' ' ' GLY . 11.1 m -114.82 -154.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.43 ' N ' HG23 ' A' ' 4' ' ' VAL . . . 151.71 -20.88 0.9 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 7' ' ' SER . 0.2 OUTLIER -111.01 -100.07 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.775 . . . . 0.0 109.281 -179.934 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' LEU . 3.1 p 37.65 -107.22 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.849 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -144.67 15.26 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -64.24 -52.46 58.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.407 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -63.58 -32.72 74.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 47.15 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 108.336 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.849 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -100.29 41.4 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.983 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -93.07 152.36 41.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.983 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 -58.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.023 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.25 -23.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.03 1.12 57.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.543 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -117.02 9.94 13.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.697 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.0 mmt85 -76.77 108.64 9.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 20' ' ' ASP . 70.4 t -75.45 -9.22 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 59.48 116.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -86.09 -21.35 27.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.56 92.21 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.579 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 13.7 m-85 -137.43 147.44 57.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -76.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.642 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -87.98 84.84 6.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 109.626 180.0 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.4 m -94.81 140.23 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.609 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.3 p -152.21 172.69 5.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.389 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 38.57 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.55 -55.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.568 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.3 tt0 -59.35 -45.04 92.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -63.66 -41.1 98.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -82.07 -2.29 51.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' LYS . 22.7 t-20 -100.97 -35.27 9.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -62.09 -25.17 67.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.964 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.73 71.02 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 170.35 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -122.75 152.76 40.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.7 t80 -116.04 173.73 6.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.6 t70 179.19 140.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.629 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.4 p -133.94 16.64 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -41.97 92.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.756 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.5 133.79 8.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.09 -33.83 4.2 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.459 1.768 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -44.23 -28.64 1.43 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.023 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.47 170.64 5.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 88.72 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.629 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.33 -56.56 0.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 107.995 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.408 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.9 t -92.08 111.94 23.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 108.26 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.697 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.9 p90 -132.46 165.18 24.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.48 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.1 mtpt -62.81 162.45 21.51 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.48 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.01 126.1 9.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.711 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.3 OUTLIER -38.42 140.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.39 80.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 2.4 pt-20 -54.49 102.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.66 -53.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.51 -177.65 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.13 139.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' PHE . 7.1 m -130.79 -66.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' THR . 2.3 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.842 ' O ' HG22 ' A' ' 4' ' ' VAL . 12.9 tt0 -94.51 132.98 38.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -59.83 96.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.842 HG22 ' O ' ' A' ' 2' ' ' GLU . 1.7 m -135.98 150.02 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.68 89.83 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.681 HD13 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -90.22 153.1 20.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.637 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 5.1 p 66.22 49.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 167.66 -87.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -46.83 -24.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.3 mm-40 -95.12 -30.55 13.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -113.44 42.64 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 108.298 179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -110.03 46.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.88 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.1 148.35 47.48 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.88 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 0.84 8.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.571 1.827 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.026 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.92 -18.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.26 10.13 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.504 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -134.02 16.91 3.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.5 mmt85 -75.59 118.12 18.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.4 t -82.79 -8.33 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 0.8 OUTLIER 56.77 109.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -19.32 56.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.93 92.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.9 m-85 -140.37 147.44 49.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -75.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.462 1.769 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.635 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -87.14 83.86 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.641 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.584 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.5 m -95.26 135.29 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.549 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.9 p -149.83 171.47 6.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.91 39.28 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.28 -45.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.592 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.7 tt0 -71.8 -40.59 69.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.542 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.58 -32.47 69.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.247 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -90.41 -1.75 57.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 1.8 t30 -98.8 -41.33 7.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -29.06 64.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.92 74.85 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.17 -159.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.5 m -119.9 152.28 37.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 108.317 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.8 t80 -118.35 173.45 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.979 -179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.0 t70 -178.5 145.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.633 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.1 p -135.66 13.43 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -51.34 69.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.572 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.32 135.45 14.08 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -36.2 2.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.12 -42.44 1.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.026 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.89 170.49 8.79 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 109.339 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.559 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 91.46 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.797 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.633 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.42 -56.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 107.955 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -89.6 119.35 29.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.7 p90 -142.27 163.75 32.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.4 mtpt -67.22 164.23 38.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.02 124.26 8.48 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.781 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.766 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.2 tt -35.25 132.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.75 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -61.82 79.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 1.5 pp20? -47.28 119.64 2.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.72 94.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.39 -55.25 7.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -126.84 -58.52 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 108.314 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.6 p -123.16 174.23 7.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.74 178.48 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -167.38 176.17 6.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.4 p -152.02 120.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' NE2' ' A' ' 10' ' ' GLN . . . -162.42 26.45 0.24 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -110.71 177.97 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.693 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 33.5 p -46.21 165.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 83.74 -73.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 12' ' ' ALA . 10.8 t30 -52.98 -76.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 51' ' ' PRO . 1.7 pt20 -47.73 -24.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.17 42.15 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 108.251 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -114.01 50.98 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.947 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.76 150.06 43.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.947 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 1.27 7.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.031 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.83 -27.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.07 10.18 20.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.529 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -133.57 19.02 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.818 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -75.66 140.43 42.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.533 HG12 ' O ' ' A' ' 19' ' ' VAL . 88.4 t -99.76 4.2 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.0 t70 43.52 96.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -69.58 -24.58 63.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 108.28 -179.956 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.72 96.02 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 16.2 m-85 -139.7 146.87 49.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -79.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.459 1.768 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.621 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -86.52 84.81 7.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.643 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.578 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.8 m -94.03 141.24 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.601 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.6 p -152.7 172.86 5.08 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.383 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 37.77 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.46 -55.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.256 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.611 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tp10 -59.01 -45.44 90.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.533 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -63.15 -42.18 99.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 108.296 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -80.1 -3.76 50.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' LYS . 21.4 t-20 -100.1 -35.07 9.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 3.1 tpt85 -61.36 -25.43 67.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.3 69.63 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 170.73 -155.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.972 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.9 m -123.64 152.75 41.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.6 t80 -115.33 174.47 5.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 24.7 t70 178.15 140.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -130.44 15.2 5.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -49.33 77.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.566 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.32 135.52 11.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -36.49 2.5 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.55 -41.66 1.74 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.031 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -93.64 171.67 6.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.512 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 93.43 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -33.71 -51.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.025 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.419 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.9 t -95.39 110.1 22.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.29 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.818 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.0 p90 -130.6 165.06 23.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.7 mtpt -71.33 165.11 51.5 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -74.98 119.31 5.6 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.791 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.5 tt -34.18 134.31 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.791 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -61.79 80.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.967 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 5.5 pt-20 -49.54 114.92 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -154.31 167.16 30.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.83 -52.45 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.1 m -99.31 136.53 39.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 108.332 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' PHE . 70.6 p -95.74 170.33 9.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' THR . 1.4 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -150.49 143.61 24.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.626 ' C ' HG23 ' A' ' 4' ' ' VAL . 43.3 t80 -177.91 170.56 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.626 HG23 ' C ' ' A' ' 3' ' ' TYR . 3.1 t 81.09 69.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 152.56 -19.82 0.8 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.408 HD23 ' ND2' ' A' ' 9' ' ' ASN . 1.0 OUTLIER -90.5 163.07 14.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 109.333 179.934 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 p 54.22 -175.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.515 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -90.8 39.1 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.408 ' ND2' HD23 ' A' ' 6' ' ' LEU . 82.7 m-20 -53.97 -58.55 6.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -62.04 -24.86 67.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 46.37 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 108.345 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -111.75 46.7 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.864 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.93 147.83 41.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.864 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 1.37 7.8 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.03 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.17 -19.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.47 10.65 31.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.522 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.03 16.28 3.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.669 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.2 mmt85 -76.64 112.25 13.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' ASP . 91.6 t -77.9 -4.89 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.5 t70 58.35 115.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.69 -24.07 27.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.329 179.945 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.09 99.57 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 17.9 m-85 -145.9 147.19 31.43 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -77.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.632 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -85.46 83.01 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 109.587 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' HB2' ' A' ' 23' ' ' TYR . 28.6 m -94.37 138.06 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.48 ' CG2' ' C ' ' A' ' 26' ' ' VAL . 4.3 p -152.36 169.36 9.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.638 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.73 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 27' ' ' THR . 7.8 tmtt? -178.04 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HB3' HG23 ' A' ' 27' ' ' THR . 1.2 tt0 -78.28 -40.03 38.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -72.77 -27.29 61.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 108.333 179.953 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.424 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.76 4.01 52.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 7.4 t30 -104.04 -41.89 5.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -56.83 -35.7 69.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.99 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.75 74.74 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.548 1.155 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 168.65 -160.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.5 m -119.42 154.07 34.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 108.308 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.638 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.7 t80 -120.41 174.52 6.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 12.4 t70 -177.29 145.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.613 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.3 p -135.26 13.37 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.75 -51.55 69.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.606 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 136.4 14.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.0 -36.52 2.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.51 -45.69 1.95 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.03 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.47 169.89 12.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 90.36 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.613 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -29.44 -57.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 107.998 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.409 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.4 t -89.94 116.67 28.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -138.58 164.82 28.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.3 mttt -66.26 163.41 39.37 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.01 120.65 6.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.048 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.765 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.2 tt -33.3 131.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.746 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -67.22 68.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 6.3 pt-20 -43.43 115.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.278 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.38 -60.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.26 131.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 p -53.36 -61.37 2.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 108.315 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.672 HG23 ' N ' ' A' ' 59' ' ' PHE . 0.7 OUTLIER 44.98 -168.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.444 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.672 ' N ' HG23 ' A' ' 58' ' ' THR . 39.1 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.82 167.6 21.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -83.64 -178.08 6.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.633 HG23 ' H ' ' A' ' 6' ' ' LEU . 27.7 m -136.86 -134.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.615 ' N ' HG23 ' A' ' 4' ' ' VAL . . . -160.97 29.76 0.32 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.633 ' H ' HG23 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -38.11 -64.89 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.683 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 97.8 p -131.1 157.8 42.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 83.04 -70.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -52.63 -38.55 60.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.67 -31.02 52.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.8 47.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 108.28 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.32 49.71 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.9 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.06 149.23 47.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.9 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 1.53 7.64 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.517 1.799 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.012 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.53 -21.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.62 10.8 28.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.521 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.68 16.98 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 -179.958 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.676 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.2 mmt85 -75.88 116.63 16.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 20' ' ' ASP . 87.7 t -81.58 -9.58 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.5 t70 58.21 115.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.77 -18.18 51.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.315 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.07 89.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.3 m-85 -139.24 147.5 53.34 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -70.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.499 1.789 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.617 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -91.76 86.32 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.576 -179.944 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.576 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.2 m -98.52 131.12 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.58 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.6 p -144.62 172.68 5.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 39.72 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.25 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.6 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.6 tt0 -68.04 -40.9 82.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -67.46 -40.1 85.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 108.303 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 4.5 t30 -81.76 -6.77 59.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 29.0 t30 -94.7 -38.24 10.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.607 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.71 -26.46 65.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.01 72.24 0.31 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.127 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 171.04 -157.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -179.983 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.512 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -120.76 152.81 37.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.34 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.632 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.7 t80 -117.19 173.21 6.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.551 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.2 t70 -178.82 141.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.0 p -131.67 16.03 4.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.59 -51.43 69.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.578 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.25 136.38 13.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.03 -37.0 2.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.32 -41.49 1.09 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.012 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.46 170.18 8.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.555 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 91.78 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.8 m0 -30.65 -56.17 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 108.015 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.9 t -90.78 116.93 29.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.237 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.676 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -138.74 167.22 22.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -67.52 163.14 50.45 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -75.0 121.83 6.82 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.523 1.801 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.793 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.46 136.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.751 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -59.51 84.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.261 -179.993 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -68.32 78.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.986 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -109.59 115.98 30.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -51.55 -59.34 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.4 m -103.02 140.04 37.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 59' ' ' PHE . 3.8 t -48.62 -50.16 33.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.433 ' N ' HG23 ' A' ' 58' ' ' THR . 1.1 m-85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.407 ' HA ' ' OE1' ' A' ' 1' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.09 -170.7 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.543 ' C ' HG23 ' A' ' 4' ' ' VAL . 2.7 t80 -159.36 -173.48 4.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.543 HG23 ' C ' ' A' ' 3' ' ' TYR . 3.4 t 77.6 69.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.484 ' HA2' ' CB ' ' A' ' 9' ' ' ASN . . . -133.59 17.37 4.46 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' SER . 0.6 OUTLIER -100.47 122.09 42.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 3.8 p 61.18 128.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 85.32 -74.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.484 ' CB ' ' HA2' ' A' ' 5' ' ' GLY . 7.8 m-80 -52.23 -62.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -55.98 -27.42 52.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -115.6 48.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 108.285 -179.939 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -116.85 50.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.912 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.01 149.62 39.11 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.912 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.487 1.782 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.014 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.14 -25.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -89.31 8.49 30.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.83 21.49 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.813 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.9 mmt180 -75.78 132.91 40.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 1.9 t -90.48 -8.11 10.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.482 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.8 t0 53.96 104.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.79 -10.31 59.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 108.273 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.53 79.04 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.621 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -145.81 146.16 27.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -77.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.694 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -67.97 97.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.575 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.7 m -126.23 124.6 66.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.571 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -139.54 174.34 4.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.386 -179.971 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.07 38.97 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -176.97 -46.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.2 OUTLIER -69.75 -38.89 76.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -73.14 -26.64 61.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -97.11 5.01 51.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 40.4 t-20 -101.82 -40.59 6.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.621 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -60.45 -26.84 67.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 179.952 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.47 72.67 0.42 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.92 -155.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.475 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -125.81 149.36 48.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 108.298 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 76.9 t80 -117.27 174.09 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 18.0 t70 -178.64 146.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.61 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.9 p -137.08 13.71 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -48.66 80.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.249 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.559 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.92 134.73 13.06 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.445 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -36.7 2.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.74 -47.93 2.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.014 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -85.78 171.09 11.22 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 93.06 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.61 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.1 m0 -32.79 -54.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.469 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.8 t -93.61 112.23 24.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.316 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.813 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -132.54 165.22 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.485 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -68.02 163.89 46.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.485 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.02 122.88 7.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.53 1.805 . . . . 0.0 111.049 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.8 tt -34.91 136.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.726 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -63.03 78.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 7.3 pt-20 -49.53 115.3 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.85 87.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -65.17 114.44 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.89 -63.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.298 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.8 t -138.82 140.25 38.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.444 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 -179.981 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -95.6 -79.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -155.43 179.63 8.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 4' ' ' VAL . 3.3 p -168.01 106.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -74.84 -109.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.1 pp 35.5 65.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.1 p -180.0 -35.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.046 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.866 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -154.99 -47.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.35 -65.19 0.67 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 1.8 tt0 -60.39 -23.38 64.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 49.93 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.336 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.866 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.34 57.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.93 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -97.86 149.56 35.85 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.93 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 -0.0 9.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.024 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.13 -25.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.88 6.2 40.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.741 ' HB3' HG12 ' A' ' 13' ' ' VAL . 7.0 t0 -131.3 21.83 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.43 132.51 39.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -92.83 -9.07 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.9 t0 55.39 107.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -75.19 -21.23 58.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 108.278 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.52 90.64 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 6.6 m-85 -139.53 147.71 53.3 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 0.782 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -70.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.62 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -91.5 85.21 5.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.619 179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.8 m -97.67 132.03 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.551 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.2 p -146.73 171.43 6.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.614 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.77 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.0 tmtt? -176.96 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.605 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.5 tt0 -75.55 -37.13 60.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.551 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -74.58 -30.13 61.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.271 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.422 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -89.26 -3.83 58.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 29.6 t30 -100.56 -40.97 7.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.608 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -55.27 -29.18 57.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.96 73.73 0.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.86 -159.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.472 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -119.01 152.14 36.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.312 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.2 t80 -116.33 173.06 6.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.7 t70 -179.47 142.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.625 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.9 p -132.17 14.94 4.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -51.29 70.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.589 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.83 137.1 14.78 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.05 -38.19 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.471 1.774 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.16 -43.27 1.37 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.024 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -91.52 169.43 11.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.552 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 91.94 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.462 1.769 . . . . 0.0 111.002 -179.935 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -30.87 -53.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.031 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -93.78 112.8 24.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.316 179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.7 p90 -132.88 165.25 25.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.3 mttt -66.38 164.82 27.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.522 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.3 Cg_endo -74.98 122.05 6.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.698 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -31.23 139.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.61 76.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' N ' HD23 ' A' ' 52' ' ' LEU . 2.6 pm0 -40.01 121.4 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 57' ' ' CYS . . . -133.64 56.38 1.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 66.11 -73.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.1 t 57.4 59.84 3.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 108.255 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.9 p -137.43 -58.61 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.435 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 111.027 179.946 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 3' ' ' TYR . 10.2 pt-20 -123.54 -170.48 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' A' ' 4' ' ' VAL . 1.2 t80 58.4 132.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.95 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 10.8 m -104.21 -148.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.537 ' N ' HG23 ' A' ' 4' ' ' VAL . . . 137.99 -12.83 3.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.822 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -73.98 -4.2 33.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 5.5 p -170.5 73.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.029 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 168.8 -81.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -36.63 3.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.49 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 3.4 tt0 -78.25 -34.45 49.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -114.29 47.63 1.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 108.345 179.959 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -101.51 42.57 1.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.982 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.68 152.1 41.58 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.982 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.05 -60.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.086 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 162.93 -22.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.226 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.26 0.78 57.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.547 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.2 m-20 -117.03 10.09 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.737 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.3 mmt85 -77.36 116.66 18.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' ASP . 17.7 t -83.3 -5.96 9.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.3 t0 57.14 114.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -22.25 26.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.3 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.66 95.73 0.05 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 14.7 m-85 -143.59 143.8 25.07 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 0.788 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.95 -71.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.43 1.753 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.581 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -88.87 83.66 6.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 109.581 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.58 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.2 m -97.07 139.25 20.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.659 ' HG1' ' H ' ' A' ' 30' ' ' GLU . 11.0 p -149.48 169.28 9.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.432 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.615 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 35.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.78 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -174.97 -47.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.347 -179.952 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.659 ' H ' ' HG1' ' A' ' 27' ' ' THR . 0.4 OUTLIER -69.42 -31.86 70.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.652 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -79.45 -29.16 41.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 108.285 -179.973 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.478 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.1 m-80 -94.42 0.64 55.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 39.5 t30 -103.43 -40.51 6.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.52 -28.34 63.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 124.15 74.68 0.26 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 168.94 -158.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -122.75 154.09 38.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 108.326 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.9 t80 -119.55 175.63 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 22.1 t70 177.43 142.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.669 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.6 p -139.53 18.37 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -32.56 71.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.56 HD13 ' CG2' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -152.85 125.68 4.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -180.0 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.488 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -34.17 4.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.771 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.51 -30.03 1.31 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.086 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -104.47 173.37 3.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.506 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.2 Cg_endo -75.0 92.48 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.669 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -34.48 -56.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.016 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.442 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.3 t -91.85 109.6 20.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.737 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.1 p90 -130.35 164.14 25.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -60.78 162.38 12.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.49 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.3 Cg_endo -74.96 122.44 7.23 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.735 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -35.63 132.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.87 75.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.568 ' N ' HD23 ' A' ' 52' ' ' LEU . 5.9 pt-20 -46.13 118.04 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.39 106.74 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.0 139.61 33.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.257 -179.947 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 117.7 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.9 p -81.33 170.22 16.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.392 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.7 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 179.951 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' A' ' 2' ' ' GLU . 2.6 mt-10 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 3.2 mt-10 167.0 64.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -173.22 103.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.957 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.76 -171.96 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.475 ' O ' ' NE2' ' A' ' 10' ' ' GLN . . . 147.7 -84.4 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 111.041 -179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.796 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -36.96 129.52 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.782 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.656 ' N ' HE22 ' A' ' 10' ' ' GLN . 44.8 p 61.25 138.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.959 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . 40.07 -160.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.418 ' H ' ' HB2' ' A' ' 12' ' ' ALA . 10.3 m120 66.67 -61.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.656 HE22 ' N ' ' A' ' 7' ' ' SER . 0.1 OUTLIER -78.58 -33.82 47.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.29 -179.967 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.417 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -117.18 42.78 2.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB2' ' H ' ' A' ' 9' ' ' ASN . . . -100.76 38.36 1.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.971 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -91.58 152.01 43.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.971 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.03 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 159.88 -22.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 4.16 54.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.541 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.9 OUTLIER -121.31 10.32 10.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.741 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.1 mmt85 -76.17 122.86 24.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 9.1 t -88.52 -8.74 10.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.7 t0 58.55 115.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.42 -25.63 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 108.288 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.93 90.17 0.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.4 m-85 -137.67 148.55 61.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -75.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.62 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -89.14 84.91 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.62 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 31.5 m -95.65 139.39 19.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.635 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.6 p -151.57 173.52 4.35 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.45 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.617 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 37.44 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.78 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.61 -54.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 179.96 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.566 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.1 tt0 -61.83 -33.73 74.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.635 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.33 -37.11 53.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 108.312 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.463 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -83.58 -5.36 59.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' LYS . 54.9 t-20 -100.59 -37.42 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.538 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 5.0 tpt85 -57.74 -26.1 61.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.35 71.77 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 168.17 -157.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.88 154.29 36.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 108.308 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.617 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.6 t80 -118.27 174.97 5.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.573 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 32.2 t70 178.32 140.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.634 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.4 p -136.04 18.29 3.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.049 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -34.82 79.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.514 ' CD1' HG22 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -154.66 131.11 5.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 -33.94 4.25 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.17 -38.18 2.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.03 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.05 172.09 5.36 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -75.01 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.634 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -33.44 -54.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.018 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.4 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.9 t -94.16 112.65 24.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 179.974 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.741 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.5 p90 -133.14 165.09 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -63.63 162.79 24.69 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 120.45 6.07 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.788 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.739 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -37.44 138.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.942 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.11 79.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 4.5 pt-20 -52.97 108.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -145.97 -59.7 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -92.3 164.25 13.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 m 63.39 110.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 108.325 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.1 m 63.76 114.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.123 . . . . 0.0 110.406 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.424 ' O ' ' CG ' ' A' ' 59' ' ' PHE . 75.1 t80 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -158.75 -48.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.554 ' O ' ' CD2' ' A' ' 3' ' ' TYR . 30.9 t80 -148.13 93.93 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.33 94.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.62 3.26 6.13 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.87 48.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 0.737 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.9 p -156.48 -170.27 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.985 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.637 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -76.82 -21.08 55.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' ALA . 4.3 t-20 -38.81 -29.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -87.99 -46.71 9.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.3 m -111.5 47.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 108.298 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.637 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -113.81 51.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.24 150.31 42.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.91 1.43 7.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.003 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.87 -27.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 -179.918 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.38 8.23 28.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.51 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.04 20.53 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.8 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -76.05 127.52 33.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.9 t -88.3 -3.43 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.478 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 39.78 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -15.86 63.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.99 100.9 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 17.5 m-85 -139.19 146.36 48.78 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 0.75 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -84.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.608 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -81.21 82.66 7.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.3 m -91.28 136.37 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.3 p -150.55 169.44 9.25 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.621 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 38.58 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.486 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.55 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.608 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tt0 -79.53 -37.05 37.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.41 -28.04 60.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 108.277 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.9 m-80 -91.36 -3.29 56.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 35.9 t-20 -100.68 -42.73 6.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.593 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.46 -24.61 20.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.69 73.82 0.51 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 172.56 -155.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.975 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.7 m -124.91 149.61 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.621 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.1 t80 -115.88 173.69 6.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 18.6 t70 -178.01 143.56 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.615 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 98.8 p -134.85 13.73 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -47.06 87.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.551 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.65 133.91 12.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.437 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 -37.02 2.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.54 -47.07 2.91 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.003 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.26 170.81 11.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 92.69 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.615 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -31.84 -52.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.979 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.475 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.0 t -93.66 127.07 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 108.303 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.8 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.5 p90 -149.25 164.11 35.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.499 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -65.47 163.5 32.82 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.499 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.02 122.16 7.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.546 1.814 . . . . 0.0 111.05 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.59 133.59 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.621 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -60.1 81.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.961 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 1.5 pp20? -53.53 107.38 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.0 134.4 45.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -53.0 -62.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -160.44 -64.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 108.281 -179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.9 t -162.96 151.93 14.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 29.1 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.94 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.37 90.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -126.83 174.77 8.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 6' ' ' LEU . 8.6 p -164.3 -137.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.77 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -151.33 30.22 0.96 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.092 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.791 ' H ' HG13 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -39.71 96.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 0.774 . . . . 0.0 109.343 179.976 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 5' ' ' GLY . 2.4 p 165.13 -96.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -108.46 -26.4 10.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.527 ' CB ' ' HA3' ' A' ' 5' ' ' GLY . 16.4 t-20 -38.68 -30.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' N ' ' C ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -85.73 -48.45 8.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.336 179.973 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -107.16 44.18 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 108.27 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.621 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -99.79 40.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.976 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -90.71 152.51 44.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.976 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.05 -57.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.092 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 158.7 -21.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.12 -1.5 54.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.7 OUTLIER -115.13 11.14 16.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.723 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -76.31 115.49 16.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' ASP . 10.2 t -81.54 -10.56 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.9 t0 59.51 116.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.35 -27.18 26.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 108.252 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.88 90.27 0.16 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 111.032 -179.937 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.584 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.2 m-85 -137.51 148.01 59.87 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.44 0.729 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -76.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.619 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -85.99 82.2 8.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.648 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.584 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 24.8 m -93.27 137.45 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.1 p -151.22 168.9 10.18 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.63 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.0 Cg_endo -75.09 39.91 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -178.34 -39.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.598 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tp10 -78.63 -39.89 35.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -70.71 -33.71 71.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 108.323 -179.998 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -87.36 -3.1 59.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.1 t30 -100.19 -41.49 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.6 -25.58 39.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.34 73.59 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.68 -157.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.971 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -121.41 151.69 39.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.63 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 76.0 t80 -117.12 173.28 6.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.4 t70 -179.97 144.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.327 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.631 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.5 p -137.26 14.48 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.9 -39.05 80.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 -179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.618 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -154.04 134.61 8.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 179.999 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -36.7 2.41 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.21 -36.47 0.91 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.092 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.95 170.79 6.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.54 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 90.84 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.631 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -31.75 -55.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 107.996 179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.8 t -92.61 111.33 22.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.32 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.723 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.1 p90 -131.92 164.8 25.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.493 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.9 mtpt -62.53 162.86 17.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.96 124.88 8.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.466 1.771 . . . . 0.0 111.056 179.949 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.801 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -37.53 128.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.503 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -66.45 62.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.739 ' N ' HD23 ' A' ' 52' ' ' LEU . 6.2 pt-20 -48.17 97.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -152.44 -67.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.51 78.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.1 m 64.8 159.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 108.297 -179.989 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.7 m -82.71 -60.49 2.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.371 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 45.2 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.049 -179.977 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 60.75 111.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -132.97 151.76 52.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.3 t -145.54 90.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.16 18.2 1.06 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.5 138.43 45.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.631 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 88.8 p -51.02 105.09 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 167.13 -70.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -62.46 -51.74 66.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 52' ' ' LEU . 5.0 pt20 -67.22 -26.82 66.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 180.0 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -107.86 40.6 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 108.307 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.13 55.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.98 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.91 150.63 38.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.98 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -0.91 10.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.052 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.28 -25.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -89.0 8.08 31.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.238 -179.987 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.729 ' HB3' HG12 ' A' ' 13' ' ' VAL . 9.3 t0 -134.14 22.39 3.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.818 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -75.73 140.72 42.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.45 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.7 t -97.48 -2.4 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.462 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 46.9 97.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -22.23 64.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 108.274 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.91 93.45 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 8.9 m-85 -139.59 148.99 58.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -74.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.811 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.626 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.59 86.12 6.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.61 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.0 m -97.3 132.96 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.55 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.6 p -146.41 171.64 6.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 -179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 40.12 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.92 -48.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.608 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -68.62 -42.73 77.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -66.53 -35.14 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 108.278 -179.995 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -87.85 -1.8 58.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.9 t-20 -98.94 -38.95 8.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG3' ' CE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -60.45 -28.83 68.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.98 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.96 74.69 0.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.81 -159.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -121.22 151.13 40.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 108.304 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 73.0 t80 -115.52 173.86 6.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.558 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.5 t70 179.33 143.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.624 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.5 p -134.0 14.83 3.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -47.39 85.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.319 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.505 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.22 133.48 10.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -37.08 2.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.64 -39.6 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.052 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -95.09 171.83 6.12 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 0.748 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.95 92.93 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.453 1.765 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -33.46 -51.92 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.997 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.2 t -94.96 110.76 22.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 108.3 -179.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.818 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.0 p90 -131.27 163.11 28.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.9 OUTLIER -68.24 164.24 44.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.939 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.503 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.93 118.18 5.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.821 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.751 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.6 tt -32.11 125.18 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.662 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -69.35 56.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.582 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -36.99 119.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.964 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -160.29 150.19 17.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.7 -62.33 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.353 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -178.23 114.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 108.307 179.962 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.9 p -59.51 132.33 53.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -162.26 61.05 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 -179.959 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.408 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -179.57 -147.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 111.023 -179.963 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 3' ' ' TYR . 12.5 t 74.33 46.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 179.938 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.29 16.02 1.68 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -99.6 159.89 14.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 0.725 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.697 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 88.0 p -46.93 172.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.697 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 84.22 -72.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -59.44 -55.04 39.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -62.4 -26.45 68.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.63 45.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.245 -179.971 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -115.18 48.22 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.92 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.47 149.96 45.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.92 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 2.96 6.03 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.842 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.41 -27.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.85 9.83 20.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.17 20.05 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.814 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.1 mmt180 -76.63 131.75 39.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ASP . 46.9 t -88.58 -5.34 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t0 52.38 102.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.76 -9.04 56.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 108.321 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.83 80.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.604 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -147.83 143.76 18.21 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.545 0.791 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.01 -80.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.707 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -62.41 94.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.968 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.512 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 26.7 m -127.0 124.99 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.58 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 0.7 OUTLIER -139.32 174.58 3.97 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.384 179.984 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.626 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.92 37.16 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.482 1.78 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.4 -44.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -72.24 -32.64 66.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.58 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -80.57 -27.08 37.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 179.999 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.517 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.6 m-80 -94.9 1.67 55.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 2.4 t30 -101.9 -40.92 6.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.604 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.07 -23.94 62.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.263 179.996 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.96 75.74 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.08 -154.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.477 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 12.0 m -127.21 149.16 50.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.316 -179.992 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.626 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.6 t80 -116.67 174.47 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.3 t70 179.12 144.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.624 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -135.67 15.83 3.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.998 179.974 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.33 -47.92 80.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.64 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.49 132.83 13.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.952 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 -37.87 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.517 1.798 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.37 -42.66 2.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.842 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -89.1 171.04 9.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 0.783 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.495 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.99 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.0 m0 -34.44 -53.44 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 108.03 -179.988 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.435 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.9 t -94.82 112.13 23.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 108.322 179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.814 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.7 p90 -131.65 168.88 16.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.432 1.082 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.514 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 23.3 mtpt -73.31 164.76 58.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.93 123.82 8.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.456 1.766 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.785 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -34.34 134.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.753 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -64.17 76.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 8.4 pt-20 -45.16 119.31 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -165.32 -62.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.62 175.94 5.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.1 m -104.81 90.1 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 108.295 -179.965 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.4 t -53.15 168.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -175.21 168.99 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -103.24 154.88 18.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.2 p -166.26 47.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.81 109.5 2.9 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.4 pp -114.17 45.39 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.689 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 87.9 p -169.8 111.95 0.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.961 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.762 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 84.01 -68.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -54.86 -46.84 74.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.158 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.86 -32.32 70.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.83 46.86 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.762 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -116.7 52.81 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.01 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.02 151.46 45.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.01 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.05 1.37 7.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.018 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.87 -27.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 8.57 25.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.509 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -132.15 19.72 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.817 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.0 139.99 41.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 19' ' ' VAL . 59.0 t -99.9 -1.72 9.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.3 t0 47.68 98.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.45 -24.94 63.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.53 92.98 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.485 1.115 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.0 m-85 -138.75 149.67 62.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.452 0.737 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -76.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.617 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -88.81 84.75 6.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.618 179.995 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 26.9 m -94.64 128.96 45.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.52 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 7.3 p -142.0 169.26 11.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.96 38.97 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 179.937 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -176.57 -39.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.566 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tp10 -78.75 -38.8 37.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -71.49 -31.52 67.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.46 HD22 ' N ' ' A' ' 29' ' ' LYS . 2.3 m-80 -87.3 -6.61 58.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 14.7 t-20 -99.7 -40.81 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.554 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 5.2 tpt180 -54.79 -27.08 38.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.82 73.23 0.33 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 168.38 -159.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.996 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.4 m -119.54 151.36 38.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.4 t80 -115.8 173.57 6.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.8 t70 179.91 143.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.608 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.6 p -133.68 15.22 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -58.83 -48.6 80.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.25 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.533 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.82 134.87 11.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.444 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 -37.46 2.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.512 1.796 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.23 -41.84 1.57 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.018 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.72 171.59 7.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.02 93.24 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.449 1.762 . . . . 0.0 110.998 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.608 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -33.68 -52.11 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.013 -179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -95.09 110.59 22.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 108.288 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.817 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -130.79 163.28 27.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 25.9 mtpt -66.37 164.4 31.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 117.07 4.77 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.436 1.756 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.818 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.4 tt -32.22 129.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.604 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -57.63 85.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.951 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -75.95 56.46 0.98 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 -179.974 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 56' ' ' GLU . . . -101.13 66.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ALA . 1.5 mt-10 38.7 60.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 78.3 -66.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 108.27 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' PHE . 13.5 t -166.8 142.32 4.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 180.0 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.82 -177.7 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.486 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 4.5 p90 -170.39 99.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 4' ' ' VAL . 32.2 t 69.07 24.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.32 11.2 3.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.62 -34.33 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.644 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 23.0 p 53.0 99.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 167.42 -82.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.08 -44.07 51.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -73.04 -31.47 64.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.3 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -111.18 44.56 1.29 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -115.92 56.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.993 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -97.12 151.13 37.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.993 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 2.96 6.05 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.532 1.806 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.746 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.09 -26.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.92 7.69 29.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -132.36 21.23 4.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.787 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -76.55 135.62 39.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.254 -179.957 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.8 t -93.54 -3.73 10.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.975 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' O ' ' O ' ' A' ' 19' ' ' VAL . 1.3 t70 49.2 98.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.6 -28.72 66.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 179.96 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.55 91.4 0.11 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.444 1.09 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.575 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 9.0 m-85 -137.09 148.14 61.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -75.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.449 1.763 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.645 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -89.08 84.79 6.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.986 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.575 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.8 m -94.98 139.24 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.632 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.7 p -152.5 173.17 4.76 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.964 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.507 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 37.72 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.495 1.787 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' N ' HD22 ' A' ' 32' ' ' ASN . 1.7 tmmm? -177.13 -53.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.469 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 4.4 tt0 -62.84 -34.86 78.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.632 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -76.74 -36.1 57.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.284 179.983 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.53 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.1 m-80 -87.86 1.32 54.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 29' ' ' LYS . 19.8 t-20 -104.15 -37.53 7.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -28.73 68.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.24 -179.952 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 124.82 73.52 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.13 -158.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.964 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.8 m -121.15 153.11 37.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 77.4 t80 -116.63 174.7 5.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.561 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 12.9 t70 176.72 141.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.635 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.7 p -134.48 18.19 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -62.96 -44.55 95.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.249 -179.999 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.721 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.36 131.07 9.44 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.969 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.441 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.0 -38.03 1.77 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.557 1.82 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.63 -28.09 0.59 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.445 1.09 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.746 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.71 171.27 5.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.488 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 92.33 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.797 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.635 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -34.96 -53.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.019 -179.989 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -94.18 109.03 20.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 108.297 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.787 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.5 p90 -128.96 163.46 25.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.0 OUTLIER -65.61 162.69 40.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 -179.993 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.497 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.98 117.45 4.92 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.477 1.777 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.747 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.6 tt -33.2 130.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.954 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.721 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -69.98 57.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.943 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.597 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -41.18 102.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.329 179.982 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.07 -42.6 3.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.38 152.59 26.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.6 m -44.44 137.75 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.293 179.997 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 t -46.41 141.88 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 -179.993 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.5 p90 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 -179.996 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.46 178.8 7.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -116.99 172.19 7.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 p -173.45 144.62 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.957 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.0 10.14 3.9 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.7 -37.38 8.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 0.0 109.236 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -95.56 114.54 26.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.987 -179.952 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . 39.09 -157.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.492 ' H ' ' HB2' ' A' ' 12' ' ' ALA . 1.6 m-20 62.22 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -64.07 -38.44 91.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.336 179.986 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.7 45.52 1.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.31 -179.978 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.492 ' HB2' ' H ' ' A' ' 9' ' ' ASN . . . -114.46 53.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.995 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.95 151.4 41.95 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.995 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 1.18 8.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.015 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.79 -27.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -87.93 5.85 38.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -129.58 20.55 5.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.802 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -76.47 133.31 39.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.56 -8.04 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.462 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 54.63 105.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.23 -11.71 60.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 108.253 -179.956 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.5 80.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.137 . . . . 0.0 111.045 -179.951 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.682 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -146.36 146.4 27.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 0.0 111.008 -179.963 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.483 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.0 -87.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.458 1.767 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.427 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -56.61 85.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.579 -179.947 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.534 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.1 m -115.12 120.75 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.7 p -138.93 173.13 5.52 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 35.3 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -172.79 -40.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.88 -36.07 56.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.525 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.61 -25.2 49.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 108.274 179.989 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.466 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 1.2 m120 -96.36 -0.1 49.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 11.6 t30 -97.89 -45.73 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.682 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -53.56 -35.2 60.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.23 71.96 0.19 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.8 -157.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.978 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.8 m -122.75 148.45 45.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 108.271 -179.963 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.8 t80 -116.74 174.36 6.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.2 t70 -179.83 146.81 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.622 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 90.3 p -138.57 13.62 2.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -60.4 -45.92 91.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.235 -179.98 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.554 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -144.77 134.33 11.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.453 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -36.47 2.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.528 1.804 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.49 -46.78 2.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.015 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.84 170.9 11.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.531 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 92.65 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.546 1.813 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.622 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -32.24 -54.73 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.2 t -93.55 112.74 24.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.325 179.961 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.802 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -132.37 166.28 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.522 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.2 mttt -68.63 164.72 42.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.1 Cg_endo -75.07 122.37 7.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.445 1.761 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.768 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.6 tt -33.21 135.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.572 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -62.43 78.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -44.61 121.36 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.997 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.29 79.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.62 57.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.8 m -124.7 173.39 8.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 108.323 179.979 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.0 t -41.37 135.4 2.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 110.397 -179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -179.55 67.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -88.79 -179.67 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.778 HG13 ' N ' ' A' ' 5' ' ' GLY . 4.3 p -169.25 -143.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.778 ' N ' HG13 ' A' ' 4' ' ' VAL . . . -144.76 32.98 1.68 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.765 ' H ' HG13 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -38.24 99.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 10.3 p 65.58 150.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 84.36 -74.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -55.67 -68.44 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.5 pt20 -52.55 -23.31 6.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.88 45.39 1.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 108.297 179.95 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -114.8 52.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.81 150.12 38.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.045 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.14 -28.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.48 10.32 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.513 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -133.66 19.22 3.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.823 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.4 mmt180 -76.41 134.88 39.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 48.4 t -94.79 -4.63 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 52.85 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -23.32 56.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 108.302 179.967 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.23 94.16 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.1 m-85 -139.02 147.9 55.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -76.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.67 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -88.36 83.84 6.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 -179.998 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.1 m -93.42 138.16 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.626 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.0 p -152.54 172.87 5.05 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.511 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.03 38.43 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -177.48 -52.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.991 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.596 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.9 tt0 -64.14 -34.58 78.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.626 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.76 -31.39 51.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 108.263 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.556 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.4 m-80 -92.22 0.87 57.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' LYS . 34.7 t30 -102.75 -40.35 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -28.25 63.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.07 73.85 0.28 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.095 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 170.96 -157.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.971 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.4 m -123.42 152.67 41.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.552 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 79.5 t80 -117.44 174.3 6.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.552 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.4 t70 177.92 140.71 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.622 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.9 p -132.26 15.7 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.967 -179.928 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -59.49 -48.51 81.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.96 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.567 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.0 135.84 12.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.99 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -37.56 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.555 1.819 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.63 -44.35 1.78 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.13 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.045 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -90.43 170.48 10.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.06 92.97 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.622 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.4 m0 -32.31 -53.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 t -94.28 110.8 22.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 179.977 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.823 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -130.64 162.94 28.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 26.3 mtpt -66.8 165.15 27.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.05 120.13 5.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.429 1.752 . . . . 0.0 110.957 -179.974 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.781 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.3 tt -33.2 139.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.781 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -64.53 75.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -43.21 122.33 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.988 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -148.43 -68.36 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -93.24 163.43 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -57.45 12.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.5 p -89.14 -56.19 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.55 113.65 22.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.39 170.29 8.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 4' ' ' VAL . 8.9 p -173.51 34.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -123.75 116.04 2.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 37.07 63.5 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.2 p -174.61 121.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 64.14 -84.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -45.86 -27.63 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.64 -34.29 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.8 m -114.86 46.0 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 108.259 179.973 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -115.02 54.95 0.77 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.998 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.51 151.35 40.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.961 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.998 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.97 2.36 6.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.946 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.03 -27.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.02 5.33 41.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -129.08 20.51 5.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.803 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -76.34 136.14 39.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.275 -179.976 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.8 t -93.29 -5.45 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.9 t0 52.5 102.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.941 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -10.9 60.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.303 179.964 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.66 77.08 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -143.43 145.94 33.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 111.015 179.959 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -78.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.686 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.62 97.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.59 179.982 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.3 m -126.1 123.87 64.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.561 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -138.43 174.07 4.62 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.432 179.933 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.644 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 39.51 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.432 1.754 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.0 OUTLIER -178.05 -47.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.992 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.1 OUTLIER -69.18 -40.88 77.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.561 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -68.18 -28.37 67.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 108.331 -179.966 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 18.3 t30 -95.67 1.98 53.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -94.45 -39.31 10.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -63.88 -24.29 67.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.84 71.23 0.51 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.112 . . . . 0.0 111.044 -179.96 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.7 -154.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.2 m -127.81 148.09 50.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 108.319 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.4 t80 -115.57 174.15 6.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.9 t70 -179.67 145.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.2 p -134.44 13.27 3.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.4 ttt85 -58.85 -53.71 55.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.641 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -138.64 135.79 18.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -37.32 2.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.41 1.742 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.72 -47.94 3.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.946 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -84.53 170.77 12.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 0.786 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 93.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.562 1.822 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.0 m0 -34.46 -53.35 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 7.2 t -95.08 109.3 21.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 108.315 179.998 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.803 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -128.51 165.46 20.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.4 mttt -67.34 163.56 45.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.486 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.2 Cg_endo -74.99 118.87 5.42 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.786 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -34.3 130.72 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.567 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -58.1 85.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 2.1 pt-20 -62.25 83.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.949 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.91 82.68 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 177.39 -56.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 72.68 -65.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.2 m 63.08 145.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.396 179.986 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.94 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -88.74 -174.36 4.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 1.093 ' CE1' HD11 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -163.11 143.01 8.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.962 179.963 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.774 HG22 HE22 ' A' ' 10' ' ' GLN . 17.3 t -139.03 88.88 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 174.88 -32.95 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.143 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.093 HD11 ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -110.45 40.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.322 179.947 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.2 p -165.0 159.54 18.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -88.05 8.73 25.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -44.52 -35.81 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.774 HE22 HG22 ' A' ' 4' ' ' VAL . 5.6 mm-40 -81.45 -33.57 31.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -114.53 47.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.985 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -111.72 48.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.872 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.94 148.58 39.98 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.872 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.95 0.19 9.19 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.003 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.37 -23.43 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.53 12.28 21.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.54 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -135.22 16.06 3.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 -179.999 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.671 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 10.0 mmt85 -76.26 114.53 15.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.927 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 89.6 t -78.62 -7.92 10.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.449 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.3 t0 58.47 115.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.491 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -84.12 -19.1 34.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 108.321 179.998 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.16 91.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 15.0 m-85 -136.84 145.89 52.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 111.046 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -77.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.459 1.768 . . . . 0.0 110.981 -179.926 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.652 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -85.96 82.49 8.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.57 -179.976 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.577 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 20.3 m -92.45 138.86 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.598 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.3 p -151.36 172.67 5.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 179.975 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.622 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.04 39.36 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -178.88 -55.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.604 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.1 tt0 -59.5 -45.88 90.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -61.68 -37.49 84.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.334 179.989 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 13.7 t30 -89.2 1.53 55.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' LYS . 53.5 t-20 -98.75 -35.96 9.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -64.38 -28.61 69.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.82 71.41 0.18 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 172.83 -157.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.965 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -123.46 154.03 39.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.6 t80 -117.7 173.87 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.0 t70 -178.18 141.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.611 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.1 p -132.5 16.31 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -60.58 -49.78 76.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.569 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.44 135.73 12.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.994 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -36.82 2.33 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.468 1.773 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.46 -41.12 1.07 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.003 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.09 169.93 9.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 179.98 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.03 90.31 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.483 1.781 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.611 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.24 -57.13 0.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.409 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.7 t -89.97 117.68 28.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 108.316 179.972 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.671 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 8.4 p90 -139.87 165.51 27.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.2 mttt -67.17 163.21 47.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.99 123.56 7.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.807 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -34.77 131.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.542 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.43 73.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.262 -179.964 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' LEU . 6.2 pt-20 -41.6 123.64 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 57' ' ' CYS . . . -154.32 123.94 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -48.68 94.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' ALA . 8.5 t -176.64 -62.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.0 p -46.89 -31.84 3.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 179.988 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.4 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.995 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -54.55 173.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.992 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -140.48 152.12 45.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 5' ' ' GLY . 11.6 m -115.58 -155.03 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' N ' HG23 ' A' ' 4' ' ' VAL . . . 133.39 -6.73 4.98 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.441 ' CA ' ' OE1' ' A' ' 10' ' ' GLN . 0.6 OUTLIER -125.4 48.07 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.331 -179.979 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.698 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 2.0 p 179.16 107.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.966 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.857 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 85.34 -47.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -68.41 -54.39 17.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 2.6 pt20 -64.2 -26.2 68.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 179.99 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.447 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -117.01 47.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.277 -179.997 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.857 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -110.35 45.34 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.855 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.14 146.64 43.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.964 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.855 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -0.36 9.87 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.082 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.41 -15.52 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.72 6.39 48.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.987 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.672 ' HB3' HG12 ' A' ' 13' ' ' VAL . 3.4 t70 -132.68 20.03 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.645 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.54 120.55 21.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 91.6 t -83.14 -11.0 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.4 t0 58.53 115.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.38 -19.87 45.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 108.246 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 66.99 90.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.125 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.5 m-85 -140.17 146.86 47.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -69.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.628 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -91.45 84.38 5.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.579 179.994 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.597 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.5 m -97.27 133.25 39.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.537 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.5 p -148.51 170.25 7.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.05 38.46 0.53 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.48 1.779 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -176.68 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.605 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.0 tt0 -80.49 -36.45 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -75.45 -31.79 60.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.252 -179.96 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.648 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.1 p30 -87.86 -3.1 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 24.0 t30 -100.97 -40.5 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.607 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.7 -28.69 57.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.27 73.64 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.5 -158.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.969 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.7 m -119.79 152.72 36.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.625 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.3 t80 -118.41 173.54 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.94 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.553 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.9 t70 -178.11 143.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.625 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.6 p -134.15 15.12 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -50.9 72.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.602 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.77 137.0 13.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.07 -37.05 2.16 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.95 -43.38 1.29 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.552 1.157 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.082 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -91.95 169.28 11.34 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 0.794 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 90.84 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.538 1.809 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.625 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.9 m0 -29.49 -55.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.999 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.2 118.81 30.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 108.286 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.645 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.7 p90 -140.93 168.16 20.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.5 mttt -71.43 164.07 60.7 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.944 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 125.72 9.49 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.787 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.706 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.0 tt -33.75 142.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.99 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.531 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -65.47 70.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' LEU . 1.2 pp20? -42.18 121.22 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -173.58 -55.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.595 1.184 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.77 115.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -158.94 87.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 108.32 -179.989 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.2 m 59.93 78.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.388 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.87 137.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.293 179.959 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -175.09 103.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 111.005 179.933 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.3 p -169.98 51.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.24 113.77 3.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.73 27.15 8.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.641 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 25.5 p -147.59 123.41 10.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 79.93 -77.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -46.2 -32.23 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.7 tt0 -82.56 -35.4 27.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -114.38 47.77 1.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 -179.942 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -110.89 46.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.898 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.43 147.63 47.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.961 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.898 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.06 1.98 7.17 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.537 1.809 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.988 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.42 -17.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.26 9.34 40.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.517 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.13 18.38 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.659 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.1 mmt85 -75.29 119.99 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.409 ' O ' ' O ' ' A' ' 20' ' ' ASP . 47.6 t -79.96 -9.41 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.499 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.7 t0 54.93 106.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -9.46 58.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 179.967 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.91 86.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.964 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.609 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -150.32 147.43 21.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.94 -80.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.709 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.57 97.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.53 -179.975 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.2 m -125.4 123.69 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.587 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -139.12 176.64 2.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.64 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.97 35.93 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 111.034 179.953 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -177.01 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 0.4 OUTLIER -68.43 -37.51 80.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.998 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.548 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -73.5 -27.44 61.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.412 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 20.9 t-20 -94.98 1.58 55.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -93.0 -39.52 11.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.94 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.609 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -63.03 -25.77 68.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.83 70.82 0.47 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.75 -154.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.965 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 3.0 m -125.86 150.18 48.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 108.304 179.988 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.64 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.3 t80 -117.81 173.86 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.568 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 7.8 t70 -175.72 147.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.603 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.0 p -137.48 11.88 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.984 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ttt180 -59.74 -52.11 66.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.571 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -140.75 134.23 14.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.475 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -36.05 2.77 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.53 1.805 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.94 -46.12 2.26 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.988 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.14 171.25 10.24 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 90.4 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.603 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.2 m0 -30.33 -57.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 179.998 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.45 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 5.5 t -89.54 120.46 30.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 108.293 179.984 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.659 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.6 p90 -142.71 166.98 23.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.545 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 19.5 mtpt -70.52 165.93 40.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.93 128.14 11.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.437 1.756 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.723 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -36.4 137.13 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.971 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.82 80.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.8 pt-20 -44.82 121.94 2.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.29 112.52 4.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -42.73 136.62 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -125.21 105.8 9.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.4 m 62.66 -83.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 179.979 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.1 t80 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.982 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -127.39 156.31 42.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.944 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -69.13 169.42 12.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 4' ' ' VAL . 7.7 p -174.28 50.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.07 108.72 2.53 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' CA ' ' OE1' ' A' ' 10' ' ' GLN . 0.4 OUTLIER -125.05 63.25 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.995 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.702 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 2.7 p 169.81 115.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.806 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 84.28 -61.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -56.19 -56.21 23.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 4.2 pt20 -63.23 -28.02 69.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.426 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 2.3 m -116.3 47.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 108.272 -179.949 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -117.32 51.84 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.963 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.69 150.75 41.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.963 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 2.96 6.03 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.883 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.83 -27.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.81 5.76 38.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.519 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -130.21 21.15 5.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.799 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -76.57 130.88 38.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.999 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 20' ' ' ASP . 4.3 t -87.53 -7.09 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t0 54.14 105.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -11.67 60.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 108.286 -179.975 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.15 76.29 0.19 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.554 1.159 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -143.34 144.88 29.9 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.985 -179.96 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -79.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.695 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -64.65 96.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.619 179.954 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.51 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.9 m -126.38 125.8 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.57 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.74 173.17 5.35 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 -179.966 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.644 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 39.94 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.01 -47.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.36 -40.44 74.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.99 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -70.4 -28.32 64.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 108.311 179.998 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -93.88 -1.29 55.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.959 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -96.26 -41.26 8.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.606 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -59.53 -23.36 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.986 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.91 72.91 0.61 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.16 -153.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.979 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 13.8 m -127.53 147.55 50.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.269 179.998 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.644 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 81.0 t80 -116.22 174.31 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 5.0 t70 178.98 144.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.624 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.8 p -135.8 16.43 3.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -47.77 77.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.63 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -141.33 133.3 13.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.974 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.96 -38.41 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.47 -44.58 2.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.883 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -87.26 170.3 12.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 92.7 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.624 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.3 m0 -33.55 -53.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.015 179.959 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.488 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.9 t -95.15 110.57 22.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 108.33 -179.995 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.799 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -129.34 168.83 15.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.947 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.458 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -71.03 162.94 69.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.97 120.02 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.765 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.5 tt -34.69 135.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.723 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.88 81.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -52.7 106.28 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.969 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -129.15 124.93 35.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -55.69 145.77 22.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.4 m 66.69 143.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.27 179.978 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.0 m -49.35 -61.64 1.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 110.373 179.993 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.8 p90 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 -179.955 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 171.33 -63.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.247 -179.997 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -178.82 118.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 5' ' ' GLY . 30.2 t -129.44 158.8 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.402 ' N ' ' CG1' ' A' ' 4' ' ' VAL . . . 179.11 -35.86 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.93 47.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.692 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 33.8 p -120.92 -55.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.716 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 163.95 -29.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -40.8 -48.61 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.2 mt-30 -76.9 -36.23 56.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -109.84 46.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 108.292 -179.98 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.716 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -109.68 46.74 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.87 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.56 147.89 38.95 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.87 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 -0.42 9.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.472 1.775 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.02 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 91.14 -23.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.97 9.93 31.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.538 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -133.3 17.34 4.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.679 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.4 mmt85 -75.77 119.83 20.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.1 t -83.7 -9.55 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 59.47 119.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.2 -20.41 32.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 108.301 179.998 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.58 90.73 0.06 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CE1' ' CG ' ' A' ' 34' ' ' ARG . 7.4 m-85 -139.76 147.62 52.3 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.626 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -91.62 85.76 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.595 -179.972 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.582 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 29.4 m -97.85 128.24 49.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.534 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.7 p -141.53 170.42 9.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.5 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.74 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.613 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -78.11 -37.02 47.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.982 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.534 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -73.94 -29.52 62.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 179.971 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.471 HD22 ' N ' ' A' ' 29' ' ' LYS . 2.1 m-80 -90.02 -3.56 57.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 28.7 t30 -101.06 -40.68 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.588 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.23 -27.05 43.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.982 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 120.71 72.97 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.53 -158.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.97 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.06 153.59 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.962 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.8 t80 -118.56 173.87 6.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.554 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 11.1 t70 -178.39 144.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 92.6 p -135.99 15.54 3.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -48.14 82.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.603 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -145.82 137.11 12.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 -37.46 2.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.45 -45.78 1.39 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.02 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -89.4 169.03 13.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.355 179.973 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 91.04 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 110.953 -179.968 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.618 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.6 m0 -29.26 -55.99 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 107.982 179.962 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.05 118.31 30.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.998 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 9.1 p90 -140.48 167.98 20.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -71.65 163.0 69.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -75.01 124.56 8.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.547 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.6 tt -31.49 136.52 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.15 76.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 5.8 pt-20 -43.69 118.01 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.51 67.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -162.19 149.86 14.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 179.986 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.6 t -125.67 -66.36 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 108.309 -179.936 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.8 m -72.79 -64.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.372 -179.988 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 -179.987 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.16 127.27 53.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.947 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -166.73 131.16 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' A' ' 9' ' ' ASN . 14.7 p -144.51 136.87 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.406 ' HA2' ' NE2' ' A' ' 10' ' ' GLN . . . -140.03 11.83 3.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' ' 8' ' ' ALA . 3.3 pp -88.92 -170.87 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 13.0 p -102.8 91.26 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.762 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 178.83 -75.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 -179.956 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.772 ' HB2' HG21 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -58.05 -43.37 86.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.986 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 52' ' ' LEU . 1.4 mt-30 -75.82 -29.04 58.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.26 43.34 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 179.993 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.762 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -114.87 53.15 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.991 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.0 151.08 40.3 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.991 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 1.16 8.05 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.013 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.12 -26.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.423 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.57 6.99 35.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -131.04 20.92 4.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.819 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.3 mmt180 -76.16 138.08 40.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 19' ' ' VAL . 69.3 t -96.68 -3.66 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.466 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 7.3 t0 49.69 99.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.19 -24.68 62.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.292 -179.965 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.52 93.48 0.05 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.064 -179.973 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 7.4 m-85 -138.07 147.39 55.99 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.538 0.787 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -73.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.626 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -89.82 84.09 6.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.634 179.933 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 21.8 m -94.1 139.06 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.644 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.9 p -151.44 173.65 4.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.633 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 36.22 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.8 tmtm? -177.6 -53.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.543 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -61.83 -32.26 72.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.644 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -78.35 -39.98 37.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 108.319 -179.973 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.65 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.2 p30 -85.1 1.66 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 29' ' ' LYS . 5.0 t30 -105.42 -36.5 7.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -25.44 66.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 123.8 70.6 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 169.83 -156.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 180.0 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.2 m -123.33 153.6 40.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.309 -179.995 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.633 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 72.4 t80 -117.45 174.26 6.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.56 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.2 t70 179.81 141.16 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.609 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.5 p -130.2 13.81 5.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -53.31 59.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.957 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.621 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.91 137.45 16.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.94 -38.08 1.78 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.535 1.808 . . . . 0.0 111.039 179.962 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.15 -46.57 1.89 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.013 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.84 170.8 10.81 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 93.93 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -33.69 -51.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.954 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 t -95.31 111.7 23.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 -179.988 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.819 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -132.18 162.21 31.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 24.3 mtpt -66.37 164.96 26.52 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.04 120.07 5.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.464 1.77 . . . . 0.0 110.966 179.99 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.764 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.3 tt -35.35 125.54 0.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.659 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -69.31 56.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.975 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.612 ' N ' HD23 ' A' ' 52' ' ' LEU . 5.1 pt-20 -48.57 94.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 53' ' ' GLN . . . -124.11 169.91 11.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -91.84 168.14 11.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' PHE . 0.1 OUTLIER -57.21 175.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 108.351 179.97 . . . . . . . . 3 3 . 1 . 054 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.9 m 60.64 -83.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.434 -179.993 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 57' ' ' CYS . 32.6 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -91.37 176.02 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.996 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -66.93 153.89 42.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 4' ' ' VAL . 11.0 p -166.45 102.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.29 106.92 0.29 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.758 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -107.08 11.17 29.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 0.73 . . . . 0.0 109.313 179.999 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 81.5 p -143.4 158.72 43.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.013 179.956 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 62.83 -86.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -45.21 -33.44 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 4.7 tt0 -81.97 -34.45 29.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.8 m -114.59 47.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 108.291 -179.999 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -115.29 55.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.004 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -93.32 151.52 40.37 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.004 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 1.91 7.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.809 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.015 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.73 -27.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.75 3.92 46.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.959 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.506 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -128.1 21.58 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.801 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -77.07 135.21 38.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 1.6 t -94.15 -8.16 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.0 t0 54.65 105.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -13.47 61.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 108.282 -179.979 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.75 78.54 0.12 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.694 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -145.52 146.78 30.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.971 -179.969 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.2 Cg_endo -75.02 -86.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.99 85.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.958 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.547 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.6 m -113.85 118.92 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.559 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.5 p -137.57 173.09 5.8 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.965 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.649 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 37.0 0.45 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.757 . . . . 0.0 110.982 -179.944 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.0 tmtm? -174.5 -40.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 3.3 tt0 -77.18 -37.52 53.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.958 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -74.93 -27.85 60.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.931 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -94.11 -1.47 54.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 10.8 t30 -95.02 -44.95 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.694 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.5 -34.97 62.6 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.48 69.99 0.19 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.949 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.98 -157.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.97 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.479 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 6.1 m -122.44 147.94 45.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.247 -179.948 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.649 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.1 t80 -116.66 173.51 6.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.6 t70 -178.63 148.03 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.963 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 86.3 p -138.51 13.77 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 179.969 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -49.54 77.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.566 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -141.81 135.05 14.27 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.257 -179.967 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.02 -37.28 2.08 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.35 -46.64 2.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.015 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.43 170.43 12.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.525 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 92.87 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.5 m0 -32.6 -54.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.014 179.97 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.4 t -93.67 111.03 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.303 -179.999 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.801 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.1 p90 -130.68 165.59 22.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -67.57 164.78 35.59 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.0 121.72 6.76 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.479 1.779 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.788 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.3 tt -34.94 128.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -62.16 78.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 6.5 pt-20 -50.36 114.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 179.965 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -160.95 179.63 8.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -116.98 89.67 3.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.472 ' SG ' HG23 ' A' ' 58' ' ' THR . 20.9 t -108.11 -95.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 108.3 179.983 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.472 HG23 ' SG ' ' A' ' 57' ' ' CYS . 19.9 p -118.38 150.88 38.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.3 p90 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.96 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.46 177.13 7.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -150.45 147.83 28.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.631 HG22 ' H ' ' A' ' 5' ' ' GLY . 4.7 p -174.57 176.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.631 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 160.31 -112.02 0.51 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.615 HD12 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER 34.34 86.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 0.786 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 2.8 p 162.47 -27.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.829 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -164.83 -45.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.64 -49.97 75.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -36.36 82.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.0 47.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 108.289 179.985 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.829 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -100.25 40.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.992 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -92.02 153.09 43.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.992 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 -59.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.546 1.814 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.009 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.16 -23.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.92 0.87 57.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -118.29 12.04 13.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.757 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.8 mmt85 -76.85 106.04 8.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.5 t -66.53 -12.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.52 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 51.2 t0 60.01 116.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.81 -14.59 56.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 108.341 179.986 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.91 70.15 1.07 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -137.61 143.64 41.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.561 0.801 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.1 Cg_endo -75.03 -81.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.734 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -64.08 96.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.637 179.971 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' A' ' 48' ' ' CYS . 18.6 m -126.17 136.33 61.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.634 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 10.1 p -143.36 170.92 7.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.06 36.09 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.801 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.97 -48.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.254 -179.956 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.503 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 3.1 tp10 -67.78 -29.92 69.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.14 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.634 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -81.45 -28.74 34.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.995 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.74 3.0 56.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.247 -179.954 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -104.07 -36.2 7.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.58 -27.47 68.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 -179.994 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.73 70.73 0.27 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.514 1.134 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.96 -155.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.991 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.453 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -126.4 154.55 43.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 108.293 179.995 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.659 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 61.5 t80 -120.68 175.09 6.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.582 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 7.9 t70 179.3 143.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.647 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -135.95 15.42 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.005 179.972 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.15 -40.27 97.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 179.976 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.725 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -151.2 130.45 6.51 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -29.72 7.95 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.51 -28.23 4.76 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.946 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.009 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -104.76 172.07 4.42 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 180.0 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.04 88.77 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.647 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.1 m0 -31.49 -55.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.986 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.563 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.8 t -93.47 110.29 21.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.342 179.987 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.757 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.8 p90 -131.28 165.8 22.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.6 mttt -63.62 161.85 32.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.436 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.96 125.42 9.34 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.517 1.798 . . . . 0.0 110.985 179.966 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.742 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -37.37 130.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.992 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.12 78.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 4.0 pt-20 -54.12 106.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.241 -179.974 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.61 40.0 1.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 48.79 96.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.953 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.894 ' O ' HG22 ' A' ' 58' ' ' THR . 1.9 m -75.39 -68.98 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.894 HG22 ' O ' ' A' ' 57' ' ' CYS . 8.7 t 55.14 162.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' THR . 3.9 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 170.37 161.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 179.983 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.43 ' O ' HG23 ' A' ' 4' ' ' VAL . 33.2 t80 -72.76 90.71 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 3' ' ' TYR . 41.2 t -152.91 127.5 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.446 ' O ' ' NE2' ' A' ' 10' ' ' GLN . . . -125.07 -1.42 8.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.65 HD13 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -109.46 179.75 4.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 p 77.59 -162.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.038 -179.997 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -62.71 -35.52 80.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 8' ' ' ALA . 4.4 t30 -36.52 -31.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -87.36 -48.26 8.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.96 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -111.78 47.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 179.985 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -113.77 51.23 0.87 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.922 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.89 149.75 40.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.985 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.922 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.95 1.79 7.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.036 -179.981 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.02 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 87.8 -25.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.94 10.14 22.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.507 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -134.24 20.11 3.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.796 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 mmt180 -75.79 126.09 30.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.426 ' O ' ' O ' ' A' ' 20' ' ' ASP . 43.7 t -87.34 -3.35 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.482 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 3.1 t70 39.85 91.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.45 -16.22 64.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 108.301 179.996 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.91 103.07 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 19.2 m-85 -142.07 145.23 35.04 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.449 0.735 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -82.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.609 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -82.17 83.17 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.657 179.98 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.7 m -92.33 138.76 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.546 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 3.1 p -152.57 170.01 8.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.632 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 39.34 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.524 1.802 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.92 -43.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.978 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.609 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.7 tt0 -73.61 -42.2 61.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.8 -34.42 76.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 108.29 -179.979 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -86.35 -4.66 59.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.943 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 19.8 t-20 -98.46 -39.95 8.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.582 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -58.17 -23.28 54.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 116.47 73.16 0.5 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.436 1.085 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 172.79 -155.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.996 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -125.59 149.06 48.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.632 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 71.6 t80 -115.4 173.66 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.55 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.1 t70 -177.66 141.73 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.594 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.7 p -132.38 14.87 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -49.44 77.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.971 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -142.06 134.07 13.52 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -36.04 2.81 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.16 -46.89 3.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.02 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.73 171.14 10.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.542 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 92.34 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.594 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.6 m0 -31.47 -52.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.989 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.463 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.5 t -93.69 126.97 39.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.147 . . . . 0.0 108.328 -179.982 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.796 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.6 p90 -149.2 164.5 34.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -65.63 163.6 33.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.0 122.84 7.46 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.789 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.3 tt -35.04 129.45 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.477 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -63.38 77.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.97 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 4.8 pt-20 -48.88 115.53 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -160.15 51.42 0.31 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 38.86 43.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.258 179.966 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.82 174.84 8.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 108.326 179.973 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 t -174.8 167.4 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.418 -179.983 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.991 . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 64.05 128.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.255 179.969 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.96 -163.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.1 p -153.38 76.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.44 ' O ' ' NE2' ' A' ' 10' ' ' GLN . . . 137.19 -12.62 3.83 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 137.61 56.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.9 p 75.9 -154.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -91.11 17.94 7.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -42.15 -48.79 4.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -67.73 -35.9 79.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.236 -179.955 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -106.39 43.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.967 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -103.6 44.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.021 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -96.49 157.24 35.73 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.021 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -59.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.517 1.799 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.87 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.0 -25.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 -8.13 52.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.457 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -109.29 14.37 23.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.965 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.796 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 3.5 mmt180 -77.49 104.62 8.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.435 HG11 ' HE3' ' A' ' 50' ' ' LYS . 2.8 t -62.33 -14.3 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.506 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 64.9 t0 59.79 115.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.349 -179.954 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.58 -10.11 59.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 108.328 -179.994 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.96 70.54 0.89 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.15 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -136.68 144.08 45.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -81.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.711 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.87 97.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.563 -179.977 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 48' ' ' CYS . 21.4 m -126.75 134.59 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.721 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 11.6 p -142.76 169.36 10.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.652 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.1 Cg_endo -75.02 36.54 0.44 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.573 1.828 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -177.31 -46.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.512 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.5 OUTLIER -72.34 -26.91 62.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.721 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -82.01 -28.87 32.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 108.325 179.986 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.427 HD22 ' CA ' ' A' ' 29' ' ' LYS . 2.0 m-80 -92.44 4.73 52.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -103.76 -35.14 8.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.581 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.63 -28.21 69.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.262 -179.981 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.46 70.84 0.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.045 -179.953 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.32 -155.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.451 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -126.08 155.54 41.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.652 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 65.0 t80 -120.97 175.21 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 24.1 t70 178.43 143.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.644 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.7 p -134.36 13.71 3.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -43.46 95.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.852 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -148.39 131.52 8.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.988 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.98 -35.48 3.13 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.09 -25.45 1.05 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.11 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.87 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -105.46 171.37 4.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 0.0 109.285 -179.931 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 89.46 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.644 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -33.7 -53.91 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 108.022 -179.991 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.534 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.4 t -94.59 109.09 21.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 108.328 179.947 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.796 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 3.7 p90 -129.47 165.89 20.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 6.0 mttt -65.18 161.5 48.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.96 123.69 8.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.054 179.97 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.797 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.3 tt -38.19 127.86 1.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -61.08 80.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.924 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -70.81 61.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 -179.954 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.02 -64.29 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -174.88 148.31 1.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.5 p -91.23 115.03 27.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.35 179.998 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.2 m -130.47 -63.35 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.97 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 40.15 91.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -111.45 125.45 53.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.48 124.24 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.69 6.88 4.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.07 139.46 42.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 2.8 p 78.12 123.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 179.974 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 68.4 -74.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -49.91 -38.7 37.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.457 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.9 tt0 -78.46 -28.53 46.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.87 49.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 108.326 179.983 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.74 50.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.91 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.29 148.68 41.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.91 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 0.73 8.55 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.003 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.82 -21.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.7 12.53 23.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -136.11 16.59 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.674 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.0 mmt85 -75.85 118.96 19.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.6 t -82.27 -9.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.357 179.972 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 57.23 110.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -19.6 52.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 108.316 179.988 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.2 93.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.8 m-85 -139.54 147.05 50.65 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -73.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -89.48 85.62 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.618 179.959 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.564 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 21.5 m -96.5 139.11 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.608 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.2 p -151.53 172.92 4.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 38.35 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.781 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.11 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.599 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -60.08 -44.16 94.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -65.07 -41.14 95.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 108.309 180.0 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -82.0 -2.45 51.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.358 179.977 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' LYS . 49.5 t-20 -101.09 -36.06 9.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CG ' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.54 -27.07 67.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 -179.99 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.2 70.55 0.22 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 169.95 -157.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.272 -1.011 . . . . 0.0 108.272 -179.955 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.465 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -121.14 154.13 36.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 108.282 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.7 t80 -118.34 174.74 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 17.8 t70 -178.68 142.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.61 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.5 p -133.85 15.83 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -49.21 78.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.572 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.94 135.07 11.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.99 -35.5 3.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.776 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.41 -42.81 1.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.003 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.69 170.89 8.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.55 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 91.87 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.61 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.2 m0 -31.02 -56.72 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 107.988 -179.973 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.4 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.0 t -89.92 118.44 29.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 108.264 179.984 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.674 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.4 p90 -140.65 165.32 27.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.939 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.517 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.1 mtpt -67.27 165.02 31.54 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -74.97 126.78 10.21 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.4 OUTLIER -35.55 144.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 059 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.62 76.34 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 6.2 pt-20 -45.58 113.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -142.94 70.6 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 45.39 68.65 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.242 179.984 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 53.61 177.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 108.336 179.982 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.8 m -86.34 143.35 27.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.398 -180.0 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 46.9 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.015 179.972 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.87 96.24 2.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -76.2 153.67 35.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 p -150.26 157.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -155.94 -105.08 0.23 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.705 HD13 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -39.25 145.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 2.1 p 87.27 96.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 179.961 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . 39.35 -150.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.517 ' H ' ' HB2' ' A' ' 12' ' ' ALA . 0.7 OUTLIER 63.03 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 8' ' ' ALA . 4.3 pt20 -66.14 -38.74 88.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.263 -179.951 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 0.7 OUTLIER -113.32 44.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.321 179.985 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB2' ' H ' ' A' ' 9' ' ' ASN . . . -111.65 42.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.902 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.02 147.66 58.42 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.902 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 2.36 6.71 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.518 1.799 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.07 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.33 -18.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.3 11.0 31.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.5 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.11 17.24 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.665 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.5 mmt85 -76.02 119.01 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 55.4 t -82.85 -8.1 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.447 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 6.1 t0 57.45 112.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -21.66 40.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 108.279 -179.958 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 68.83 93.11 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.573 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 10.8 m-85 -138.42 146.74 52.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -78.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.67 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -85.64 81.53 8.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.582 -179.98 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 19.7 m -90.35 140.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.623 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.9 p -152.59 173.2 4.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.406 179.987 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 37.01 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -177.76 -53.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.6 tt0 -62.0 -33.76 74.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.623 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -77.72 -38.17 47.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.645 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 14.8 p30 -88.89 5.65 42.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 29' ' ' LYS . 11.6 t30 -107.78 -38.07 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.95 -27.43 66.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 127.02 72.13 0.18 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.054 -179.981 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 168.94 -157.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.98 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.452 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.7 m -122.39 155.2 36.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.953 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.2 t80 -120.13 174.51 6.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 4.1 t70 -178.22 145.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.634 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.7 p -134.73 12.4 3.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 -179.974 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -51.63 68.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.621 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.7 137.06 13.32 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.92 -35.95 2.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.51 -42.94 1.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.07 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.36 169.99 9.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 90.64 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.634 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.2 m0 -29.81 -56.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 108.032 179.993 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 t -89.78 118.74 29.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 108.323 179.968 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.665 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.1 p90 -141.6 166.76 23.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.535 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.5 mttt -71.64 164.08 60.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.03 124.59 8.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.2 tt -32.9 141.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.797 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.66 73.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.349 179.939 . . . . . . . . 3 3 . 1 . 060 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 52' ' ' LEU . 1.1 pp20? -40.26 123.94 1.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -163.25 57.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 39.8 85.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.7 p -53.81 135.25 42.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 108.284 -179.994 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.6 t -38.85 143.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.1 168.46 19.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -89.77 135.33 33.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.66 94.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.472 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -112.96 107.26 1.95 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.777 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -93.04 13.3 21.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.698 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 9.4 p -160.58 133.92 6.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.698 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 84.28 -62.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -59.0 -54.55 45.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -63.29 -28.63 70.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.95 46.85 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 108.312 179.968 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -109.03 43.91 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.851 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.86 147.37 45.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.851 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.97 -0.52 10.06 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.087 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.45 -18.28 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.81 7.53 45.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.715 ' HB3' HG12 ' A' ' 13' ' ' VAL . 3.8 t70 -133.05 19.41 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.678 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 9.0 mmt85 -76.22 99.23 4.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' ASP . 39.1 t -63.14 -15.46 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.503 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.3 t0 56.11 112.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.43 -15.67 42.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 108.279 -179.995 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.13 102.78 0.06 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 20.3 m-85 -141.99 145.27 35.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -85.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 111.004 179.965 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.618 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -79.3 81.06 5.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.592 179.987 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 19.8 m -89.58 137.59 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.567 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 2.7 p -151.74 171.58 6.41 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 40.07 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -179.86 -46.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.597 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.9 tt0 -68.8 -43.34 75.84 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -66.19 -31.98 73.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 179.995 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 14.0 t30 -92.4 -0.53 57.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 11.3 t-20 -96.56 -39.38 9.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.585 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -63.23 -24.7 67.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.59 75.09 0.44 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.44 -159.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -123.28 149.45 44.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.8 t80 -115.58 173.7 6.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.556 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 2.1 t70 -177.65 142.84 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.8 p -132.88 12.01 4.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -50.45 72.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.635 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.35 136.54 13.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.96 -35.72 3.01 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 179.962 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.36 -46.48 1.99 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.087 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.48 170.06 12.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.592 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 89.54 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -27.89 -56.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.966 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.503 ' SG ' ' CD2' ' A' ' 23' ' ' TYR . 4.6 t -89.21 128.36 35.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 108.249 -179.965 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 8.3 p90 -151.44 163.6 38.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 19.7 mtpt -65.63 164.97 21.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.06 123.37 7.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.532 1.806 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.786 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -34.07 125.97 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.589 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -68.94 58.51 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 061 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.701 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.6 pm0 -37.25 119.62 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.64 93.1 2.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 -179.961 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.98 -62.08 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.3 m -43.13 126.55 4.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.31 -179.983 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.2 t -116.79 165.95 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.389 -179.952 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -177.35 120.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -77.9 114.05 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.2 p -179.19 98.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -148.5 107.83 0.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.432 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -118.47 -60.73 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.584 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 30.0 p -117.71 153.18 33.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 75.74 -74.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -50.86 -41.25 57.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -74.93 -30.91 61.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.983 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.08 45.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.976 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -96.57 45.86 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.896 HG12 ' HB3' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -100.04 149.87 36.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.716 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 -58.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.027 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 161.16 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 179.976 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.44 6.38 47.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.896 ' HB3' HG12 ' A' ' 13' ' ' VAL . 12.3 t0 -123.92 11.25 8.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.745 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.6 mmt85 -76.56 114.42 15.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -80.48 -10.67 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER 59.1 117.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.31 -21.34 29.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 108.302 -179.982 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.19 91.19 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CE1' ' HG2' ' A' ' 34' ' ' ARG . 9.2 m-85 -138.76 148.99 60.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -73.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.6 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -91.31 87.45 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.617 -179.999 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 25.2 m -99.15 137.33 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.574 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 1.5 p -150.69 172.01 5.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 -179.981 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 39.02 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.73 -48.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.6 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 3.2 tt0 -69.12 -41.06 77.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -68.44 -40.5 81.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.98 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -81.09 -4.42 55.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.961 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 20.0 t30 -100.56 -37.86 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.589 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 4.1 tpt85 -58.56 -26.73 63.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 121.8 72.11 0.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.19 -158.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.963 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -119.88 152.13 37.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 77.9 t80 -116.19 173.37 6.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 21.3 t70 179.5 139.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 179.972 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.8 p -132.2 17.45 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.097 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -59.78 -43.85 94.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.792 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -150.3 133.82 8.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -75.02 -30.62 6.93 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.33 -30.95 4.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.027 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -103.96 171.78 4.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.956 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.548 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 89.98 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.5 1.79 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.7 m0 -31.26 -56.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 107.99 -179.993 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.4 t -92.58 113.15 25.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 108.298 -179.987 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.3 p90 -133.39 166.12 23.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.6 mttt -62.11 164.06 11.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.529 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.95 123.54 7.98 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.529 ' C ' ' O ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -30.62 127.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.998 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.13 39.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.418 ' H ' ' CD2' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -124.0 38.62 4.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.09 . . . . 0.0 110.325 179.956 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.82 62.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -51.7 110.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.959 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.68 -63.39 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 108.342 179.991 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.1 m 59.54 155.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.999 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -168.6 99.24 0.41 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -133.63 102.49 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.0 p -168.25 49.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -82.17 110.29 3.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pp -126.94 159.28 34.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.703 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 15.4 p 64.63 101.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.802 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 85.37 -52.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -55.88 -58.77 6.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 5.5 pt20 -68.26 -23.11 64.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -114.14 43.02 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 108.259 -179.963 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.802 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.19 47.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.899 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.03 148.83 46.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.986 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.899 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.04 0.81 8.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.96 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.049 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.82 -15.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.541 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.45 3.77 52.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.653 ' HB3' HG12 ' A' ' 13' ' ' VAL . 5.5 t0 -132.02 23.57 4.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.811 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.1 mmt180 -74.94 128.76 36.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG11 ' HD3' ' A' ' 50' ' ' LYS . 39.8 t -84.24 -7.74 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 59.4 t0 52.27 104.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.72 -10.99 60.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.256 -179.985 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.82 81.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.685 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -145.89 146.83 30.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.75 . . . . 0.0 111.036 179.977 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.99 -87.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.07 86.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.612 -179.975 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.536 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.8 m -115.87 119.22 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.548 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -137.93 172.88 6.04 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.392 -179.951 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.03 36.59 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -174.39 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -78.9 -36.5 41.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.967 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -76.55 -27.8 56.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.244 -179.946 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -94.96 2.61 55.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.239 -179.943 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.8 t-20 -99.9 -44.36 6.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.685 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -55.59 -35.15 65.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.08 71.45 0.17 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -179.29 -157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.975 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 22.4 m -122.98 147.48 46.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.1 t80 -115.12 173.82 6.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 2.4 t70 179.46 143.55 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.642 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.9 p -135.99 18.46 3.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.978 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -66.25 -45.27 81.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.493 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.83 132.54 11.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 -37.49 2.01 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.04 -41.71 1.41 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.049 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -92.31 170.08 9.76 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.28 -179.995 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.545 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 91.75 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.642 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -31.49 -53.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 108.0 -179.969 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.9 t -94.49 111.2 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 108.331 179.941 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.811 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.6 p90 -131.48 166.3 21.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 18.8 mtpt -72.36 165.88 46.92 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.08 122.83 7.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.798 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.5 tt -34.14 138.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.798 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -66.06 71.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.321 179.96 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 52' ' ' LEU . 4.1 pt-20 -46.45 112.98 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.19 -64.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -175.63 179.15 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.7 p -66.68 107.47 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 108.3 -179.994 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.63 -35.24 4.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.996 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.995 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -176.98 165.33 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -107.61 145.06 33.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.2 p -163.79 82.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -128.42 110.19 1.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -125.66 141.65 51.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 0.718 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.567 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 60.5 p 46.72 60.12 3.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.163 . . . . 0.0 109.946 179.985 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 171.96 -81.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -49.97 -46.13 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -29.85 65.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.63 47.36 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 179.985 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.14 45.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.921 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.04 148.05 59.38 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.921 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 3.21 5.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.519 1.8 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.99 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.99 -18.36 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.11 11.08 31.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -135.01 16.41 3.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.669 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 8.7 mmt85 -76.35 109.17 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.999 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.3 t -75.22 -7.02 9.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.4 t70 58.29 115.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.22 -22.15 28.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 108.317 179.977 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.22 98.27 0.04 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.96 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 17.9 m-85 -145.07 144.97 25.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -70.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.667 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -91.03 85.84 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.591 179.992 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 28.5 m -98.86 137.94 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.525 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 1.7 p -146.84 169.69 9.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.357 -179.978 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.657 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 41.56 0.76 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -179.34 -50.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 30' ' ' GLU . 10.1 tm-20 -65.28 -46.6 79.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -62.22 -34.61 76.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 108.291 -179.984 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 7.4 t-20 -88.85 -5.85 57.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 57.9 t-20 -98.26 -39.93 8.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -57.07 -24.33 53.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.937 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.19 71.51 0.27 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 169.9 -155.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.991 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.491 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -125.74 152.66 45.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.299 179.962 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 67.4 t80 -118.41 175.1 5.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.572 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 -179.32 143.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -133.75 14.37 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.996 -179.963 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -50.39 74.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.559 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.2 134.54 12.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 -35.48 3.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.519 1.8 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.93 -41.45 1.94 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.99 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -93.25 170.89 7.98 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 0.782 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 91.76 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.568 1.825 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.9 m0 -31.57 -56.59 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 107.986 -179.989 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.408 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.5 t -90.08 116.32 28.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 -179.956 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -138.87 166.35 24.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.8 mttt -68.1 163.51 50.6 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.97 123.9 8.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 111.054 179.96 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.784 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.1 tt -32.98 133.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.702 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -69.2 69.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.994 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 1.8 pm0 -40.62 121.74 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -162.89 -66.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.86 -59.89 2.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.32 131.71 45.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.317 -179.961 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 59' ' ' PHE . 16.9 m -56.68 152.67 11.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 -179.972 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -129.66 123.96 32.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 17.6 t80 52.27 87.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.979 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.5 t -139.23 104.73 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.63 17.33 2.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.529 ' O ' ' CB ' ' A' ' 7' ' ' SER . 0.2 OUTLIER -90.33 105.81 18.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 1.3 p 157.53 -25.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 110.031 -179.971 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.674 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 178.06 -39.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.8 -28.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.6 pt20 -94.58 -39.6 10.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -114.79 46.22 1.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 108.29 179.99 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.674 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -109.83 41.53 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.868 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -84.44 147.1 48.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.95 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.868 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.06 4.21 4.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.448 1.762 . . . . 0.0 110.962 -179.965 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.957 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.33 -16.71 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.54 9.35 40.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.68 17.65 3.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.686 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 9.2 mmt85 -75.75 114.41 14.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' ASP . 2.2 t -80.36 -7.18 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.94 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' VAL . 5.2 t0 58.73 117.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.958 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.485 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -85.26 -19.32 31.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.301 179.977 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.37 91.07 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.951 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 15.6 m-85 -137.42 145.76 50.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -79.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 0.0 110.962 179.999 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.644 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.6 OUTLIER -84.27 81.89 8.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.597 -179.961 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.574 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -91.7 138.41 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.625 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.9 p -152.74 173.13 4.82 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.953 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 37.66 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.521 1.8 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' N ' HD22 ' A' ' 32' ' ' ASN . 0.0 OUTLIER -176.84 -53.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.97 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.481 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 2.1 tt0 -63.24 -35.47 80.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -76.39 -30.85 57.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.331 179.991 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.53 HD22 ' N ' ' A' ' 29' ' ' LYS . 1.2 m-80 -93.43 3.04 56.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' LYS . 18.8 t-20 -104.76 -38.99 6.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.78 -29.96 67.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.2 73.35 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.437 1.086 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 169.45 -159.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.998 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -120.83 155.86 33.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 39' ' ' ASP . 78.0 t80 -119.09 174.27 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.576 ' O ' ' CG ' ' A' ' 47' ' ' TRP . 19.8 t70 178.48 144.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.649 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.8 p -139.49 17.21 2.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 179.98 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -63.6 -34.19 77.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.528 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -155.49 132.46 6.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.979 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.98 -37.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.41 -33.8 0.35 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.957 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -100.94 168.47 9.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.591 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 88.76 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.649 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 10.5 m0 -27.96 -57.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.99 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.442 ' HB2' HG11 ' A' ' 26' ' ' VAL . 1.9 t -89.33 117.47 28.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 108.323 -179.99 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.686 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 7.8 p90 -139.42 165.94 25.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -67.89 162.93 54.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' LEU . 18.4 Cg_endo -74.96 122.28 7.13 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 -179.988 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.753 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.8 tt -33.13 136.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.559 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -65.1 73.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.946 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.1 pt-20 -44.61 119.95 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.3 107.93 3.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -168.09 140.53 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' C ' ' CG2' ' A' ' 58' ' ' THR . 1.3 m 59.02 80.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 108.304 -179.997 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.403 ' CG2' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER 39.27 84.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 179.99 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.1 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 179.998 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -115.96 -57.26 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -37.6 119.63 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.701 HG13 ' O ' ' A' ' 4' ' ' VAL . 6.2 p -171.35 97.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -61.28 -108.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.664 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.1 pp 37.0 53.07 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 0.788 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.2 p -176.46 -173.22 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -75.99 -28.25 57.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 8' ' ' ALA . 7.5 m-20 -38.43 -30.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 1.1 tt0 -85.32 -48.66 8.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.95 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -108.94 46.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.303 -179.988 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.621 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -101.36 41.93 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.016 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -91.76 153.58 43.77 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.34 179.998 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.016 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.03 -58.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.792 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.075 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 159.65 -22.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.44 -1.89 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.525 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -114.86 11.62 16.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.754 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.3 mmt85 -77.2 110.46 11.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.99 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' A' ' 20' ' ' ASP . 23.5 t -73.15 -8.86 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.529 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 65.3 t0 59.4 117.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.35 -18.23 46.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 -179.995 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.52 72.63 0.61 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -138.5 145.72 47.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.438 0.728 . . . . 0.0 111.012 179.943 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -79.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.497 1.788 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.693 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -69.03 99.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 -179.967 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 48' ' ' CYS . 16.3 m -125.19 125.36 69.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.747 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 12.6 p -130.75 168.13 18.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 179.988 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.675 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 36.22 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.509 1.794 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -175.59 -46.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.529 ' H ' ' HG1' ' A' ' 27' ' ' THR . 0.3 OUTLIER -73.04 -27.34 61.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.289 -179.949 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.747 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.8 OUTLIER -79.46 -32.53 42.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.293 179.987 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -90.95 1.07 57.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -104.26 -38.81 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.143 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.571 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 3.3 tpt85 -58.63 -26.7 64.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 123.72 72.54 0.24 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.18 -157.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.993 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.448 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -123.86 155.71 37.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 108.246 -179.94 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.675 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 70.7 t80 -120.0 175.99 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.578 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 6.3 t70 176.89 141.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.633 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.0 p -134.28 15.39 3.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.011 179.929 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.56 -38.99 89.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.594 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -153.38 133.49 7.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 -33.97 4.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.997 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.58 -37.68 2.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.075 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -96.09 171.14 6.62 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.2 Cg_endo -74.98 92.02 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.633 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.1 m0 -33.43 -54.47 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.56 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.9 t -94.27 108.46 20.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.754 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 4.6 p90 -129.13 166.32 19.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.178 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.0 mttt -63.42 161.26 35.37 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.472 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.2 Cg_endo -75.02 124.13 8.38 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.733 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -36.28 137.2 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -66.59 71.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 -179.989 . . . . . . . . 3 3 . 1 . 066 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.612 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.3 pp20? -45.47 119.42 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.75 141.73 14.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.358 179.963 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -95.07 -59.63 1.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 -179.997 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.7 p -119.16 167.97 11.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 108.337 179.977 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.2 t -147.26 153.72 40.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.423 -179.992 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 110.993 179.949 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -154.82 176.54 12.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 178.33 164.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.2 m -130.7 -170.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 141.69 -12.61 2.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.95 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.78 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -119.79 57.75 0.91 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.0 p -169.84 -150.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.969 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.801 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -114.44 19.78 15.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.97 -55.27 34.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.6 OUTLIER -63.5 -30.44 71.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -115.6 48.44 1.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -112.61 45.07 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.907 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.49 147.92 45.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.907 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 1.08 8.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.985 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.84 -24.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.38 14.59 14.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.259 -179.996 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.515 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -138.46 17.14 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.688 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.25 122.68 24.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 20' ' ' ASP . 62.2 t -82.53 -9.75 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.0 t70 56.65 109.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.41 -10.44 59.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.97 87.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.454 1.097 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.707 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -151.97 147.02 19.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.4 Cg_endo -75.02 -85.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.437 1.756 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -58.97 84.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 109.637 -179.994 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.561 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.1 m -112.65 117.54 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.931 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.6 p -138.7 173.78 4.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.415 179.966 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.642 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 36.46 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.509 1.794 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -174.31 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.997 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.31 -35.71 40.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.512 ' HB2' ' HA ' ' A' ' 26' ' ' VAL . 0.7 OUTLIER -78.07 -26.15 48.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 108.307 179.986 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -96.09 2.84 53.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.7 t30 -98.87 -44.23 6.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.707 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -54.87 -34.77 63.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.1 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.41 69.66 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -176.37 -155.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.5 m -123.49 149.51 45.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 108.3 179.982 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 75.3 t80 -118.5 173.98 6.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.0 t70 -176.37 147.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 95.6 p -137.55 12.5 2.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.973 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -51.06 71.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.601 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.23 135.93 14.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -36.78 2.38 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.467 1.772 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.78 -47.13 1.75 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.031 -179.935 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.985 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.91 170.04 13.26 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.246 -179.998 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.582 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 89.75 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.9 m0 -28.67 -57.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 108.023 -179.987 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.07 121.01 31.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 108.289 -179.981 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.688 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.9 p90 -143.13 165.89 26.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.9 mtpt -69.9 165.13 45.38 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.03 127.89 11.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.557 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -35.19 136.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.25 82.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -58.77 99.49 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.987 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -142.71 101.67 3.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -137.42 -58.58 0.69 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.95 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.2 m -136.61 146.06 45.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.297 179.971 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.2 m 63.47 159.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 -179.951 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.983 . . . . . . . . 0 0 . 1 . 068 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -173.47 156.16 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.502 ' O ' HG23 ' A' ' 4' ' ' VAL . 24.1 t80 -143.44 130.49 20.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.031 179.941 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 3' ' ' TYR . 65.7 t -156.11 128.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.28 98.68 0.73 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.455 HD23 HG12 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -108.88 81.19 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.2 p 176.19 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 -179.975 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.693 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -142.67 -63.76 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.458 ' C ' ' O ' ' A' ' 8' ' ' ALA . 30.2 t-20 -36.35 -31.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -88.41 -48.48 7.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.6 m -111.37 47.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 -179.979 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.693 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -113.52 51.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.954 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -91.55 150.4 41.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.984 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.954 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 3.03 5.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.746 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.73 -26.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.19 6.78 35.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -131.01 20.39 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.803 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.6 OUTLIER -76.18 129.92 37.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.348 179.998 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.46 ' O ' ' O ' ' A' ' 20' ' ' ASP . 3.3 t -86.72 -5.23 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 19' ' ' VAL . 60.6 t0 50.98 103.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -12.57 61.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 108.341 179.972 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.2 77.3 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -143.88 145.98 32.71 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.453 0.737 . . . . 0.0 111.036 179.972 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.4 ' O ' HG22 ' A' ' 26' ' ' VAL . 18.4 Cg_endo -74.96 -82.76 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.502 1.791 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.687 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -62.45 96.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.611 179.986 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.7 m -126.51 124.15 64.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.555 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -138.23 173.67 5.07 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.98 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.628 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 38.85 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.43 -45.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.6 OUTLIER -71.44 -38.62 71.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.972 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -72.88 -29.33 63.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.322 -179.993 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.2 OUTLIER -94.05 2.7 55.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 9.0 t30 -101.62 -39.73 7.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.56 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -60.92 -23.95 65.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.75 73.69 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.59 -154.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.467 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.0 m -126.98 147.99 50.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 108.316 179.988 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.5 t80 -114.62 174.39 5.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.563 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.0 t70 177.26 145.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.648 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.7 p -140.13 19.56 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.958 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -33.23 72.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.675 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -152.94 128.13 4.88 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -37.87 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.05 -27.87 0.44 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.746 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -104.35 170.54 5.96 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 90.2 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.648 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -32.4 -54.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.016 -179.994 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.456 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.2 t -93.78 111.96 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.803 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.4 p90 -131.99 166.31 21.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.7 mttt -68.53 163.49 53.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.96 124.16 8.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.756 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.2 tt -34.38 133.25 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -64.94 73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 068 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.517 ' N ' HD23 ' A' ' 52' ' ' LEU . 7.9 pt-20 -46.25 116.27 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.254 -179.962 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -151.32 -68.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -107.88 155.45 20.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.261 -179.947 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.6 m -64.13 -61.12 2.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 108.289 -179.994 . . . . . . . . 1 1 . 1 . 068 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 59' ' ' PHE . 3.9 t -163.61 -49.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 068 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.416 ' N ' HG23 ' A' ' 58' ' ' THR . 1.9 t80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 069 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 77.72 -63.37 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.327 -179.978 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -76.6 102.77 6.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 p -172.93 103.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -104.44 -10.77 32.82 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 -179.996 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -128.05 109.1 11.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 0.783 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 1.7 p 179.22 -36.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.671 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . 176.93 -51.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.962 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.7 OUTLIER -36.04 -37.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.452 ' HG3' ' CB ' ' A' ' 51' ' ' PRO . 0.3 OUTLIER -78.8 -51.61 9.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.8 OUTLIER -106.13 47.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 108.256 -179.977 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -108.94 43.6 1.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.864 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.55 146.54 44.47 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.864 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 2.08 7.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.993 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.974 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.84 -18.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.22 10.28 34.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.983 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -135.44 18.77 3.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 -179.984 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.678 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.3 mmt85 -75.9 115.56 15.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.01 -11.48 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.509 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 5.4 t70 57.73 108.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.21 -8.78 57.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 108.32 179.976 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.24 80.08 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -147.57 143.23 17.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.97 -79.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.437 1.756 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.713 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.02 93.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.575 180.0 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.521 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.7 m -126.02 127.97 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.566 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -140.47 175.92 2.83 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.382 -179.997 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.05 35.41 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.55 -46.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 0.0 OUTLIER -67.7 -32.39 73.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -82.04 -26.88 33.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 -179.997 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -94.42 0.68 55.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 27.0 t-20 -101.58 -39.17 7.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.605 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.47 -23.58 64.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 179.971 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.61 75.36 0.6 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.72 -154.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -126.82 150.25 49.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 108.303 -179.957 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.4 t80 -117.75 174.95 5.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 10.5 t70 -178.87 143.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 -179.964 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.617 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 91.4 p -135.69 17.06 3.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.979 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -66.03 -48.98 69.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.544 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.08 132.84 13.82 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 180.0 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.95 -36.44 2.59 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.6 -43.18 2.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.105 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.974 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -89.69 170.14 11.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.99 89.67 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.617 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -29.5 -57.82 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.994 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.484 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.6 t -89.86 119.46 30.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.8 p90 -141.58 166.84 23.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.528 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 22.0 mtpt -70.8 165.47 46.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 127.11 10.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.718 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -35.08 135.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' NE2' ' OD2' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -66.01 71.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.995 . . . . . . . . 3 3 . 1 . 069 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.631 ' N ' HD23 ' A' ' 52' ' ' LEU . 6.0 pt-20 -43.24 117.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -170.34 -64.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.338 -179.946 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.92 77.28 0.31 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 069 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.9 m -135.25 -60.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.973 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.8 t -91.5 141.79 28.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 069 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 84.1 t80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.996 . . . . . . . . 0 0 . 1 . 070 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -178.44 132.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -39.64 160.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 4' ' ' VAL . 10.0 p -173.12 52.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.59 106.93 0.39 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.485 1.115 . . . . 0.0 111.014 179.915 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.864 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -102.37 -101.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.43 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.5 OUTLIER 37.7 -98.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.037 -179.971 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.855 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -153.25 21.54 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.79 -58.76 7.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.489 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -63.23 -25.44 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -180.0 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 48.14 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 108.305 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.855 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -110.9 45.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.882 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.09 147.65 41.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.882 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 3.65 5.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.925 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.43 -15.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.95 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -97.05 7.22 47.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.987 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.43 18.89 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.98 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.681 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.7 mmt85 -73.96 120.15 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.2 t -80.22 -11.61 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.485 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.8 t70 57.9 108.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -15.33 61.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 -179.98 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.6 79.87 0.1 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.682 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -145.8 146.92 30.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -74.96 -86.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.89 85.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.62 -179.994 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.541 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 28.8 m -114.15 118.94 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.504 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.0 p -135.83 172.72 6.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.388 -179.99 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.657 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 36.22 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 27' ' ' THR . 3.2 tmtt? -174.4 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -76.93 -37.4 55.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -75.5 -27.61 58.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.262 -179.948 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -96.18 2.92 53.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 6.8 t30 -100.59 -42.98 6.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.682 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -57.04 -33.8 67.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.41 72.32 0.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 178.37 -157.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.967 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 m -123.2 148.91 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.325 179.951 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.657 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.2 t80 -116.83 174.24 6.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.568 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 15.0 t70 -178.92 143.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.614 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.0 p -133.2 13.92 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 179.962 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -54.26 48.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.803 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.15 138.64 16.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.981 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.96 -36.97 2.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.788 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.5 -38.8 1.05 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.925 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -94.85 168.15 11.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.595 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 87.83 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.3 m0 -27.47 -57.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.0 179.986 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -90.0 119.76 30.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 108.329 179.992 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.681 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.2 p90 -141.89 164.47 30.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.1 mtpt -66.98 164.39 35.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 126.33 9.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.769 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.1 tt -35.27 132.55 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.46 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -62.61 77.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.354 179.939 . . . . . . . . 3 3 . 1 . 070 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 52' ' ' LEU . 1.4 pp20? -44.04 121.78 2.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 070 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.58 148.07 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -99.95 96.46 7.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 58.9 m -106.02 166.54 10.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 108.312 179.989 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.3 t -63.65 147.02 52.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 110.412 -179.976 . . . . . . . . 1 1 . 1 . 070 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.98 . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 071 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER -147.29 164.33 33.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.418 ' O ' ' O ' ' A' ' 2' ' ' GLU . 44.2 t80 53.02 106.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.964 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 p -179.8 90.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . 68.83 8.69 57.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.855 HD22 ' N ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.58 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.855 ' N ' HD22 ' A' ' 6' ' ' LEU . 89.4 p -47.05 -172.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.797 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -84.91 40.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.619 ' HB3' HD21 ' A' ' 6' ' ' LEU . 8.4 t-20 -61.75 -47.59 84.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -72.43 -26.12 61.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.339 179.974 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.96 45.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.981 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.797 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -110.46 47.76 0.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.877 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.43 147.85 40.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.877 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.95 2.02 7.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.07 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.5 -18.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.513 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.46 11.85 29.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.498 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.85 16.67 3.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.68 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 7.7 mmt85 -76.16 96.77 3.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 20' ' ' ASP . 66.8 t -62.59 -14.36 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.5 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 5.8 t0 56.19 111.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.971 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.11 -13.53 49.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.242 -179.982 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.17 102.38 0.04 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' CE1' ' HB3' ' A' ' 34' ' ' ARG . 17.6 m-85 -141.58 144.59 33.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.647 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -79.86 81.02 6.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.566 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 22.2 m -89.52 137.21 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.7 p -150.17 172.42 5.3 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.624 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 39.57 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -178.8 -54.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.953 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.583 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.4 tt0 -60.78 -44.81 96.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -63.52 -34.98 78.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 108.252 -179.965 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 12.2 t30 -90.63 0.13 57.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 29' ' ' LYS . 40.5 t-20 -97.96 -37.31 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.606 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -64.83 -21.87 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.33 73.79 0.49 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 -179.967 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.24 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.3 m -126.72 150.36 49.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.263 -179.999 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.624 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 64.9 t80 -116.27 174.44 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 9.4 t70 -177.52 144.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.1 p -134.29 12.07 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -49.66 76.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.584 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.68 134.73 12.49 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -75.02 -34.75 3.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.34 -46.95 2.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.07 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.83 170.88 10.62 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.741 . . . . 0.0 109.315 -179.977 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.576 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.01 90.59 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 -179.944 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.3 m0 -29.15 -56.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 107.948 -179.972 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.493 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.4 t -89.47 128.02 35.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 108.313 -179.98 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.68 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.1 p90 -151.73 165.27 34.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.522 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.1 mttt -67.87 164.13 43.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.522 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.95 124.66 8.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.438 1.757 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.774 HD23 ' N ' ' A' ' 54' ' ' GLU . 1.7 tt -34.49 129.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.723 ' H ' ' NE2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -67.54 62.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 071 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.774 ' N ' HD23 ' A' ' 52' ' ' LEU . 5.6 pt-20 -36.67 125.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -167.82 47.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -82.93 64.41 7.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.84 167.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 108.306 179.974 . . . . . . . . 2 2 . 1 . 071 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.2 t -117.44 158.95 23.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.415 -179.977 . . . . . . . . 1 1 . 1 . 071 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 072 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.6 55.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.559 ' CG ' HG23 ' A' ' 4' ' ' VAL . 39.2 t80 -175.75 -87.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.559 HG23 ' CG ' ' A' ' 3' ' ' TYR . 2.9 t -152.03 -133.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.506 ' H ' HG12 ' A' ' 4' ' ' VAL . . . -101.62 40.13 2.53 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.683 HD23 ' H ' ' A' ' 7' ' ' SER . 0.5 OUTLIER -46.79 152.54 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 0.79 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.683 ' H ' HD23 ' A' ' 6' ' ' LEU . 4.3 p 77.02 -147.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.113 . . . . 0.0 109.956 179.982 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -96.41 19.49 12.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -48.48 -72.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.459 ' N ' ' OE1' ' A' ' 10' ' ' GLN . 0.5 OUTLIER -54.41 -27.86 39.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.266 -179.971 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -105.96 40.62 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 108.276 -179.978 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -106.53 41.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.872 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -80.8 147.23 61.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.872 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.91 1.16 8.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.067 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.79 -18.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.86 9.38 37.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.998 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.513 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -132.95 16.73 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.66 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.0 mmt85 -76.05 112.38 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 20' ' ' ASP . 61.9 t -76.26 -7.14 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 4.9 t0 57.63 112.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -82.05 -20.23 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.328 179.971 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.04 97.86 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.581 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 21.4 m-85 -146.68 140.74 15.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.771 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.2 Cg_endo -75.05 -68.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.558 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.2 82.75 6.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 -179.999 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 30.7 m -97.14 139.65 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.596 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 7.3 p -149.58 170.96 6.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.42 179.953 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.61 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 35.84 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.23 -49.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.5 OUTLIER -64.85 -33.02 75.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.596 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -79.44 -26.64 41.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 108.317 179.965 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.471 ' OD1' ' CB ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -96.51 1.45 51.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 29' ' ' LYS . 32.8 t-20 -104.7 -37.16 7.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HB3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.69 -31.05 70.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 129.62 73.6 0.14 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 167.09 -158.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.963 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.5 m -123.12 155.71 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 108.265 -179.978 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.61 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 69.9 t80 -119.91 174.74 6.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.569 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 14.6 t70 -179.34 143.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.638 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 99.7 p -133.48 13.6 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.971 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -57.21 -50.99 71.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.556 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.31 135.41 12.48 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.97 -35.71 3.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.5 -36.89 0.73 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.067 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -98.62 169.96 7.61 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.541 0.789 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.572 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.2 Cg_endo -74.96 89.88 1.12 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.638 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.8 m0 -29.46 -57.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.409 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.3 t -88.65 117.5 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.9 p90 -140.97 166.37 24.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.517 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.9 mttt -72.03 163.92 63.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.2 Cg_endo -75.02 123.27 7.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.793 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.8 tt -32.23 135.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.793 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -59.45 82.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 072 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 6.2 pt-20 -48.35 119.04 2.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 072 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -174.0 63.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -117.59 -43.13 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 79.7 m -125.7 164.35 20.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 108.314 179.988 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.7 t -49.45 147.79 3.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.426 -180.0 . . . . . . . . 1 1 . 1 . 072 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 073 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.26 168.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.457 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 8.7 p90 -98.08 131.28 44.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.1 t -135.5 95.99 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.96 12.59 2.61 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.69 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.7 pp -100.31 48.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.716 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 2.1 p 171.61 112.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.896 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 85.5 -57.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -61.72 -52.57 63.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 2.7 pt20 -65.72 -27.38 68.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.429 ' SG ' ' HG3' ' A' ' 10' ' ' GLN . 1.6 m -115.46 46.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 108.258 -179.976 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.896 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -117.13 57.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.031 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -95.21 152.41 39.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.948 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.031 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 2.53 6.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.778 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.32 -25.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.05 4.23 49.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.482 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -128.09 20.96 6.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.96 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.785 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -76.07 135.92 39.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 179.985 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 20' ' ' ASP . 11.5 t -94.13 2.13 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 19' ' ' VAL . 6.3 t0 43.69 95.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -23.66 63.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 108.264 -179.984 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.0 96.69 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.568 ' CB ' ' CG1' ' A' ' 26' ' ' VAL . 12.0 m-85 -138.78 150.11 64.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -79.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.783 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.628 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -87.8 86.35 7.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.563 179.972 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.568 ' CG1' ' CB ' ' A' ' 23' ' ' TYR . 23.3 m -95.22 139.99 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.541 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 2.3 p -152.84 170.86 7.47 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 40.28 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -178.7 -47.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.628 ' CD ' ' CE1' ' A' ' 25' ' ' HIS . 1.0 OUTLIER -68.72 -44.03 74.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.355 179.961 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.4 OUTLIER -64.73 -39.53 93.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.965 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -81.8 -4.18 55.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.984 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.1 t30 -100.14 -37.09 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 5.7 tpt85 -59.62 -27.22 66.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 122.94 71.7 0.25 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER 169.28 -157.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.963 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.3 m -121.35 151.61 39.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.273 179.988 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 78.8 t80 -114.88 173.59 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.056 179.972 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.547 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 20.6 t70 177.24 140.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.619 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 80.6 p -131.17 17.37 5.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -58.63 -49.18 78.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.328 179.945 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.809 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.99 134.47 11.41 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.97 -37.44 2.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.79 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.94 -28.21 0.68 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.098 . . . . 0.0 110.965 -179.994 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.809 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -104.89 170.63 5.78 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.506 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.03 91.49 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.619 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.1 m0 -33.87 -52.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 107.988 -179.98 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -94.45 109.58 21.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.785 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -129.44 164.65 23.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.2 mttt -68.3 164.9 38.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.534 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 120.58 6.13 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.454 1.765 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.8 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.9 tt -30.19 99.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.498 ' OE1' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -69.31 57.48 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.976 . . . . . . . . 3 3 . 1 . 073 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.546 ' H ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt0 -158.28 36.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.358 179.944 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -119.1 70.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.6 147.55 15.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.237 179.994 . . . . . . . . 2 2 . 1 . 073 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.5 t 49.88 91.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 108.272 179.947 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 t -149.44 -48.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 073 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.998 -179.997 . . . . . . . . 0 0 . 1 . 074 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 78.02 89.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -147.29 98.3 2.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 4' ' ' VAL . 9.6 p -174.6 114.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.4 100.47 2.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.39 -44.26 34.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.646 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 81.8 p -151.04 100.92 2.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 167.26 -81.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -51.03 -39.28 55.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 1.6 mt-30 -77.59 -32.33 53.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -109.2 42.6 1.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.309 -179.957 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -110.24 43.59 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.889 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -85.37 147.74 47.87 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.889 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.98 0.93 8.3 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.004 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.31 -21.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -93.28 12.84 23.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -137.92 18.2 2.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.7 mmt85 -74.62 118.91 18.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 -179.988 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.442 HG11 ' CD ' ' A' ' 50' ' ' LYS . 70.8 t -74.92 -9.61 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.947 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.542 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 53.4 t0 54.95 104.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.39 -17.36 63.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 -179.997 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.75 73.82 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -140.51 144.23 35.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.961 -179.953 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -75.01 -78.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.723 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.62 97.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.598 179.954 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.565 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.6 m -125.95 128.91 72.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.588 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 5.7 p -134.57 169.94 12.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.678 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.98 39.23 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.537 1.809 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.88 -51.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 3.8 tp10 -64.63 -42.76 95.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.571 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.59 -33.02 74.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 108.281 179.996 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -90.61 2.91 55.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -103.18 -35.54 8.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.54 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.0 -26.62 68.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.47 71.89 0.24 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.5 -156.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.1 m -125.98 152.71 45.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.265 -179.996 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 56.1 t80 -117.61 175.71 5.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.607 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 6.7 t70 -178.31 144.87 0.32 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.945 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 88.8 p -135.34 12.18 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.68 -48.94 79.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 179.961 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.553 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -143.84 134.33 12.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.422 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.98 -36.05 2.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.489 1.784 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.07 -43.9 1.93 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.15 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.004 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -89.44 169.98 11.66 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.571 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 90.07 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.6 m0 -29.59 -55.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 107.991 -179.968 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.565 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.2 t -91.25 118.92 30.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 108.295 179.998 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.3 p90 -141.49 165.91 26.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 21.6 mtpt -71.58 165.86 45.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.531 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.03 126.06 9.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.787 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.0 tt -35.4 126.76 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.656 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -69.05 58.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.963 . . . . . . . . 3 3 . 1 . 074 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.647 ' N ' HD23 ' A' ' 52' ' ' LEU . 4.6 pt-20 -39.07 117.1 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.36 179.977 . . . . . . . . 2 2 . 1 . 074 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -158.39 -45.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.938 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 49.53 75.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.4 t -177.19 65.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.248 179.99 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.4 p -118.93 -58.77 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 179.958 . . . . . . . . 1 1 . 1 . 074 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.9 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.051 179.971 . . . . . . . . 0 0 . 1 . 075 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -46.12 103.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -176.18 179.52 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.963 -179.937 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.728 HG13 ' N ' ' A' ' 5' ' ' GLY . 1.4 p -150.79 -154.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.728 ' N ' HG13 ' A' ' 4' ' ' VAL . . . 120.88 -0.81 11.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -106.13 -27.0 11.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.75 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.2 p -107.95 -175.73 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' ALA . . . -98.17 23.19 8.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -45.56 -47.56 14.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.65 -30.39 68.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -112.09 45.06 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 108.339 179.975 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -108.21 40.71 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.927 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.854 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -82.36 146.32 53.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.854 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 -0.07 9.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.025 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.31 -15.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.86 7.29 46.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 -179.968 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.617 ' HB3' HG12 ' A' ' 13' ' ' VAL . 5.6 t0 -135.47 21.81 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.674 ' NE ' ' HA ' ' A' ' 15' ' ' ALA . 12.5 mmt85 -74.76 115.69 14.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.3 t -71.26 -11.31 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.508 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 65.9 t0 55.67 109.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.48 -10.13 59.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 -179.974 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.4 73.16 0.43 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.589 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -139.05 145.35 44.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.45 0.735 . . . . 0.0 111.016 179.929 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -81.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.447 1.761 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.702 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.87 97.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.622 -180.0 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.56 HG11 ' HB2' ' A' ' 48' ' ' CYS . 17.4 m -126.79 132.0 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.607 ' C ' ' CD2' ' A' ' 38' ' ' PHE . 5.3 p -140.89 170.54 9.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.436 179.997 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.662 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 38.95 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.497 1.788 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -177.77 -51.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.27 179.953 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.11 -41.58 94.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.575 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -67.02 -32.35 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 108.333 179.965 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.401 ' OD1' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -89.94 2.92 54.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.347 -179.994 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -101.56 -35.56 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.589 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -64.32 -28.77 69.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.285 179.981 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.26 71.72 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.57 -156.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.7 m -124.89 153.59 42.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.308 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.662 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 51.3 t80 -121.32 175.28 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 8.9 t70 -177.64 145.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.616 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.6 p -135.43 13.3 3.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -47.13 85.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.538 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -144.88 134.08 11.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.955 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 -36.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.487 1.783 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.71 -45.1 1.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.025 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -87.59 169.61 13.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.569 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.05 89.99 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.616 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -29.7 -56.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 108.005 -179.963 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.56 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.7 t -90.33 117.92 29.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.288 179.968 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.66 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.4 p90 -140.3 165.99 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.552 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 4.9 mttt -69.51 164.72 47.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.552 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.6 Cg_endo -74.93 124.74 8.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.78 HD23 ' C ' ' A' ' 52' ' ' LEU . 2.1 tt -33.18 137.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.762 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -64.05 79.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.983 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.5 OUTLIER -68.55 60.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.99 . . . . . . . . 3 3 . 1 . 075 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 53' ' ' GLN . . . -128.95 -68.2 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.235 -179.955 . . . . . . . . 2 2 . 1 . 075 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 178.54 -177.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.246 -179.988 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 7.3 m 54.09 96.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 108.297 179.988 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 p -96.34 -58.35 2.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 075 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.62 124.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -153.4 129.69 10.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -167.34 148.45 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 6' ' ' LEU . . . -146.26 -103.85 0.38 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.629 ' O ' ' CB ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.08 -169.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 0.755 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.713 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 5.0 p 96.83 -38.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 160.39 -25.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -51.04 -79.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.478 ' OE1' ' CA ' ' A' ' 6' ' ' LEU . 6.6 pt20 -45.15 -32.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' C ' ' O ' ' A' ' 8' ' ' ALA . 3.0 m -107.65 44.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 108.3 -179.997 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -103.16 42.83 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.788 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.69 145.29 34.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.788 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 0.79 8.45 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.994 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 90.81 -25.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -90.51 11.71 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.53 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -135.37 17.55 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.696 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 12.1 mmt85 -75.23 112.69 11.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 20' ' ' ASP . 7.0 t -70.26 -11.05 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.498 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 49.9 t0 58.13 115.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.25 179.984 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -10.25 59.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 108.348 179.949 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.37 77.56 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.599 ' CZ ' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -144.9 144.98 25.89 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.4 Cg_endo -74.98 -80.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.489 1.784 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.699 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -63.87 95.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 -179.973 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 23.0 m -126.05 126.04 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.569 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -139.8 173.36 5.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 -179.992 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.648 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.99 39.21 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -176.59 -46.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.2 OUTLIER -71.18 -38.36 72.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.989 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -73.56 -31.97 63.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 108.307 -179.981 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -91.67 0.26 57.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.446 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 11.9 t30 -100.84 -40.31 7.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.599 ' HG2' ' CZ ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -59.35 -23.48 62.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.988 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.72 75.1 0.59 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.27 -154.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.494 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.3 m -125.05 150.06 47.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.648 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 79.5 t80 -118.59 174.15 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.564 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 8.3 t70 -178.63 146.51 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.62 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.6 p -139.02 14.39 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -63.94 -46.19 85.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.541 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.83 133.97 11.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.05 -36.83 2.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.52 -46.17 2.03 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.994 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -86.61 169.42 15.08 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.597 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 88.43 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.505 1.792 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.62 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.9 m0 -27.49 -57.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.999 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.493 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.7 t -90.66 119.3 30.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 108.29 -179.931 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.696 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.3 p90 -141.22 167.56 21.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.8 mttt -70.46 163.7 60.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.99 124.49 8.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 111.054 179.95 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.796 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.8 tt -34.91 131.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.652 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -63.93 75.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 -179.971 . . . . . . . . 3 3 . 1 . 076 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 6.3 pt-20 -45.82 118.4 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.97 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -160.71 173.93 14.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.77 139.2 55.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.57 75.92 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 108.289 180.0 . . . . . . . . 2 2 . 1 . 076 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.5 t -69.26 157.79 36.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.436 179.955 . . . . . . . . 1 1 . 1 . 076 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.5 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 111.038 179.993 . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 077 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.43 161.63 20.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -173.57 130.42 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.46 HG23 ' CD2' ' A' ' 6' ' ' LEU . 14.8 p -174.44 130.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.91 20.55 0.88 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.564 ' H ' HD23 ' A' ' 6' ' ' LEU . 2.3 pt? -98.41 124.71 43.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.685 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.0 p 62.7 133.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 82.7 -73.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.8 OUTLIER -49.61 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CG ' ' HB3' ' A' ' 51' ' ' PRO . 1.4 pt20 -46.31 -33.3 3.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.09 41.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 108.349 179.951 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -107.81 40.99 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.907 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -81.5 148.28 62.01 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.165 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.907 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 3.16 5.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.467 1.772 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.898 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 86.44 -21.51 0.2 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -93.68 9.62 36.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.514 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.72 18.44 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.706 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 13.9 mmt85 -73.0 119.14 16.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.03 -14.45 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.509 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 0.7 OUTLIER 59.02 111.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.27 -14.01 61.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 108.328 179.973 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 59.45 73.04 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -140.88 144.48 35.7 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.98 -76.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.414 1.744 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.709 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -68.88 97.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.626 179.989 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.543 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.5 m -125.91 130.55 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.599 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 2.8 p -138.12 171.4 8.4 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 40.46 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.74 -54.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.969 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 1.4 tp10 -61.24 -43.78 98.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.572 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.3 OUTLIER -64.26 -33.11 75.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 108.274 -179.965 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -92.52 4.86 52.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -104.22 -35.01 8.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -64.49 -29.8 70.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.21 69.6 0.14 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER 174.24 -158.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -179.951 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.458 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -124.04 154.12 40.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.312 179.985 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.666 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 60.4 t80 -119.05 174.72 6.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.572 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 6.2 t70 -179.22 141.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.621 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.0 p -130.34 13.4 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.98 -55.84 27.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.811 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -140.94 139.14 18.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -74.99 -38.15 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.544 1.812 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -39.61 -39.03 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.898 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -93.82 167.82 13.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.567 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 89.65 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.621 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 7.4 m0 -29.82 -55.49 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 107.973 -179.973 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.543 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.9 t -91.46 119.09 31.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 -179.985 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.706 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 8.2 p90 -142.21 167.98 20.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.554 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -75.58 164.82 58.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.554 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 126.25 9.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.563 1.823 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.4 tt -32.98 137.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.797 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -64.36 74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.976 . . . . . . . . 3 3 . 1 . 077 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LEU . 2.3 pm0 -40.76 126.8 2.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.949 . . . . . . . . 2 2 . 1 . 077 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -164.16 64.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.945 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 54.78 84.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 m -138.91 162.42 34.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 108.308 -179.998 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.2 m -93.74 154.6 17.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 110.394 -180.0 . . . . . . . . 1 1 . 1 . 077 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 -179.974 . . . . . . . . 0 0 . 1 . 078 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 078 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -174.42 -177.92 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -154.71 166.77 32.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 4' ' ' VAL . 13.8 p -175.32 113.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.25 3.84 5.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.06 52.14 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.753 . . . . 0.0 109.279 -179.952 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.679 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 9.7 p 169.37 107.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.095 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 7' ' ' SER . . . 82.12 -73.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -41.49 -28.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' N ' ' C ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -85.62 -43.57 13.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.5 m -110.69 47.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.295 -179.983 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . -111.49 48.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.921 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -86.94 149.42 47.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.921 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 1.28 7.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.972 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.26 -23.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -91.81 9.38 32.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.529 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -133.14 17.67 4.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.693 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.8 mmt85 -75.19 117.26 16.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' ASP . 24.5 t -75.76 -10.53 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.522 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 55.2 t0 58.13 112.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.158 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -18.35 60.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.306 179.975 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.59 72.45 0.66 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -139.53 144.07 38.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.983 -179.988 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -77.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.733 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -68.87 97.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.596 -179.986 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.9 m -124.14 129.69 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.664 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 9.1 p -135.24 171.93 8.1 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.936 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.678 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 35.06 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 27' ' ' THR . 1.1 tmmt? -177.84 -48.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.491 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 0.9 OUTLIER -66.44 -26.89 67.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.664 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -83.57 -34.12 25.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -179.981 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.621 ' C ' ' OD1' ' A' ' 32' ' ' ASN . 17.3 p30 -90.85 4.31 52.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 17.7 t-20 -106.02 -37.15 6.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.555 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.99 -27.78 68.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.948 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.93 70.69 0.17 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 171.33 -156.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.99 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.446 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.8 m -125.85 154.44 42.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.354 179.99 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.678 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.4 t80 -119.58 176.38 5.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.585 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 12.2 t70 179.11 142.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.617 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 94.1 p -131.98 13.03 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -53.25 60.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.631 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.36 136.83 16.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 -36.47 2.51 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.72 -45.76 2.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.972 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -88.15 169.64 13.31 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.362 179.942 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -75.01 92.0 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.617 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.5 m0 -31.45 -56.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 179.973 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.582 ' HB2' HG11 ' A' ' 26' ' ' VAL . 3.3 t -91.35 115.05 27.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 108.3 179.985 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.693 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.5 p90 -136.68 166.09 24.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 3.3 mttt -67.82 163.85 45.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.96 124.73 8.87 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.576 1.83 . . . . 0.0 110.967 -179.997 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.778 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.5 tt -35.01 130.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.506 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -61.8 78.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.576 1.172 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 078 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 4.8 pt-20 -47.54 117.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -150.5 82.18 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -99.6 83.44 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.77 67.27 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 108.324 -179.972 . . . . . . . . 2 2 . 1 . 078 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.0 m -66.49 -60.93 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.414 -179.98 . . . . . . . . 1 1 . 1 . 078 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 110.953 179.993 . . . . . . . . 0 0 . 1 . 079 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 079 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 173.28 -63.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.951 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 20.6 t80 179.24 121.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -148.53 126.97 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.346 -179.996 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.556 ' H ' HD13 ' A' ' 6' ' ' LEU . . . -129.26 3.42 6.27 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.582 1.176 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.652 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -110.09 46.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 0.725 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.4 p -156.4 -156.33 0.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . -61.65 -144.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.98 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.709 ' N ' ' HB2' ' A' ' 12' ' ' ALA . 8.6 m-80 54.96 -89.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -54.68 -42.35 71.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -113.2 45.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.273 -180.0 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.709 ' HB2' ' N ' ' A' ' 9' ' ' ASN . . . -108.85 44.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.913 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -84.19 148.0 52.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.913 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.01 1.16 8.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.551 1.816 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.968 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 89.12 -16.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -96.07 7.26 46.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.498 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -132.88 19.13 4.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.704 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 10.2 mmt85 -74.59 101.62 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 110.29 179.963 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' ASP . 5.8 t -61.55 -18.93 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.549 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 57.24 112.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.404 ' SG ' ' C ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -83.85 -9.76 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 108.344 179.924 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.91 97.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.638 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -156.78 145.39 14.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 111.018 179.949 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.01 -86.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.418 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.14 86.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.606 179.973 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 32.5 m -116.36 116.92 53.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.531 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.8 p -129.11 169.95 11.92 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.463 179.948 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.691 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 38.3 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -177.0 -37.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 179.988 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.475 ' HB3' HG23 ' A' ' 27' ' ' THR . 2.7 tt0 -79.61 -35.18 39.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -75.13 -28.62 60.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 108.322 179.969 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.465 ' ND2' ' C ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -96.1 1.95 52.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.363 179.984 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 3.0 t-20 -101.05 -42.16 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.638 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -58.71 -27.13 64.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.995 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 74.77 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.94 -154.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.7 m -129.81 147.76 51.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.346 179.993 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.691 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 66.1 t80 -115.66 175.17 5.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.574 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 3.0 t70 -178.03 143.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.609 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 89.8 p -133.87 10.68 3.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -59.45 -49.57 77.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.565 HD13 HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -141.82 134.29 13.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.999 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.454 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -36.88 2.31 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.74 -47.44 2.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.968 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -84.88 169.78 15.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.578 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 89.62 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 5.7 m0 -28.8 -56.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 108.033 179.99 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.0 t -89.96 126.44 35.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 108.274 -179.99 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.4 p90 -149.28 168.15 24.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.527 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 26.2 mtpt -71.85 165.65 47.72 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.0 129.17 12.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.459 1.768 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.72 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -35.68 137.64 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.421 HE21 ' N ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -64.35 76.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 079 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' N ' HD23 ' A' ' 52' ' ' LEU . 6.4 pt-20 -41.91 126.78 3.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 079 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -174.79 125.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 58.2 169.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.9 m 74.36 -68.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.292 -179.994 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.5 t -116.24 153.1 32.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.402 -179.967 . . . . . . . . 1 1 . 1 . 079 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 80.5 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.981 . . . . . . . . 0 0 . 1 . 080 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.15 -50.78 2.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -120.78 106.62 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.674 HG22 ' H ' ' A' ' 5' ' ' GLY . 1.4 p -131.87 -160.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.674 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 136.38 -8.3 4.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.12 45.08 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.776 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.617 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 54.8 p -169.89 101.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.69 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . 79.08 -57.95 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -55.0 -29.42 57.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.343 -179.993 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.482 ' HG2' ' CB ' ' A' ' 51' ' ' PRO . 2.0 tt0 -85.82 -36.71 19.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.36 46.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.317 179.999 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -101.32 41.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.008 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -90.06 153.62 47.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.008 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 -59.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.985 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 160.74 -23.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.21 1.62 57.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.526 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.8 OUTLIER -119.78 13.22 12.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.748 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 11.7 mmt85 -77.12 103.96 7.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.463 HG11 ' HE3' ' A' ' 50' ' ' LYS . 2.9 t -63.35 -16.65 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.546 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 54.9 t0 57.98 114.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 1.307 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -79.52 -26.03 41.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.27 75.66 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -142.21 144.34 31.09 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 0.75 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -78.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.802 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.692 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -65.97 96.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.576 -179.987 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.528 HG11 ' HB2' ' A' ' 48' ' ' CYS . 17.2 m -126.0 125.48 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.657 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 4.3 p -128.0 169.93 11.5 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.442 -179.984 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 39.26 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.7 OUTLIER -178.5 -53.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.927 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 2.6 tt0 -63.4 -39.06 93.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.657 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.04 -39.1 92.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 108.327 179.979 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -85.67 0.37 52.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -100.88 -36.33 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.603 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -62.85 -20.5 65.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.326 179.985 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 36' ' ' CYS . . . 118.36 70.02 0.36 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 1.307 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER 173.38 -153.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.956 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.46 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.4 m -130.0 153.72 48.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 108.266 -179.941 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.697 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 57.7 t80 -117.34 174.77 5.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.601 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 2.6 t70 -179.79 142.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 93.1 p -136.26 16.82 3.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.99 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -68.4 -32.83 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.651 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -155.57 126.09 3.42 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.953 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.487 ' HA ' ' CD1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 -32.41 5.49 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.44 -25.26 1.96 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.985 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.8 OUTLIER -106.65 172.64 3.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.277 -179.994 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.546 ' HG3' ' HB2' ' A' ' 20' ' ' ASP . 18.3 Cg_endo -75.05 89.19 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.792 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -32.41 -54.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.528 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.0 t -93.26 115.26 27.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 108.32 179.943 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.748 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 5.0 p90 -137.68 165.19 26.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 6.1 mttt -63.48 162.7 24.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -75.02 125.33 9.24 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.74 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -37.22 129.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 080 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.05 77.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.512 ' N ' HD23 ' A' ' 52' ' ' LEU . 5.2 pt-20 -46.07 117.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.439 ' C ' HG22 ' A' ' 58' ' ' THR . . . -164.85 -54.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -70.76 -64.09 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 179.977 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 90.2 m -86.19 78.14 9.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 -179.997 . . . . . . . . 1 1 . 1 . 080 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 58' ' ' THR . 8.7 t -174.28 56.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.416 -179.995 . . . . . . . . 2 2 . 1 . 080 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.6 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.985 . . . . . . . . 0 0 . 1 . 081 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 64.36 -83.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -80.36 107.98 13.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 p -179.79 79.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.38 -11.14 54.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.58 ' O ' ' CB ' ' A' ' 7' ' ' SER . 0.9 OUTLIER -114.46 101.14 8.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.963 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.58 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 2.6 p 153.11 -174.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.763 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -105.18 13.17 31.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -51.54 -49.69 61.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -68.46 -33.5 74.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.958 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -112.93 47.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.325 -179.985 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -115.16 53.61 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.895 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -97.2 148.74 34.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.895 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -74.93 1.55 7.57 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.074 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.28 -20.58 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -91.46 4.09 53.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -129.07 21.71 5.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.997 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.853 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.8 mmt180 -76.1 131.89 39.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.284 179.955 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 20' ' ' ASP . 6.4 t -89.86 3.4 6.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.488 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 43.2 t0 44.4 96.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -20.67 65.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 108.287 179.988 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.22 76.5 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.57 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -142.32 143.33 26.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.744 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -79.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.679 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.18 96.89 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 179.976 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.514 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 16.0 m -125.48 122.76 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.625 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 6.2 p -126.39 170.35 9.91 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.353 -179.972 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.697 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 37.99 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.35 -51.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' H ' ' HG1' ' A' ' 27' ' ' THR . 4.0 tp10 -63.63 -39.65 94.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.334 -179.978 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -64.28 -39.27 93.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 108.319 179.963 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 36' ' ' CYS . 12.2 t30 -86.41 -1.68 57.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -97.69 -34.84 10.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.57 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -65.88 -21.04 66.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 -179.996 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.36 70.52 0.34 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 173.5 -154.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.974 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 5.1 m -129.92 151.23 50.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 108.277 179.991 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.697 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 64.6 t80 -114.41 175.74 5.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 179.972 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.586 ' N ' ' CD2' ' A' ' 38' ' ' PHE . 25.9 t70 175.71 139.15 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.607 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 86.9 p -129.06 17.74 6.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.015 179.964 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -61.8 -48.71 79.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.589 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -143.79 136.9 13.87 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 -37.99 1.81 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -37.96 -49.61 2.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.074 HG11 ' HB1' ' A' ' 15' ' ' ALA . 0.9 OUTLIER -85.22 169.94 14.74 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.749 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.493 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 96.11 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.607 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.2 m0 -35.01 -49.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 108.041 179.975 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.447 ' HB2' ' CG1' ' A' ' 26' ' ' VAL . 6.3 t -97.74 104.8 16.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.853 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.0 p90 -123.83 165.73 16.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 1.4 mttt -68.78 164.06 49.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.498 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -74.97 121.56 6.67 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 52' ' ' LEU . 0.8 OUTLIER -33.67 116.11 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.48 32.74 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.81 42.95 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 56' ' ' GLU . . . -119.26 142.17 48.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 55' ' ' ALA . 0.5 OUTLIER 172.48 143.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 081 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.6 p -42.99 132.41 3.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.29 -179.965 . . . . . . . . 1 1 . 1 . 081 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 59' ' ' PHE . 7.6 t -172.37 -48.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.436 179.956 . . . . . . . . 2 2 . 1 . 081 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.413 ' N ' HG23 ' A' ' 58' ' ' THR . 27.0 p90 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 3' ' ' TYR . 3.8 tm-20 -161.35 27.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.572 1.17 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.887 ' O ' HG23 ' A' ' 4' ' ' VAL . 1.8 t80 58.07 147.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 111.041 -179.962 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 3' ' ' TYR . 2.0 t -169.81 99.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' HA3' ' NE2' ' A' ' 10' ' ' GLN . . . -90.21 104.07 3.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.631 HD12 ' N ' ' A' ' 7' ' ' SER . 3.9 pp -116.95 -53.51 2.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.631 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -82.42 -171.11 3.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.94 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.551 ' O ' ' N ' ' A' ' 10' ' ' GLN . . . -39.02 -84.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.44 ' N ' ' HB2' ' A' ' 12' ' ' ALA . 4.6 m120 37.9 -92.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' A' ' 8' ' ' ALA . 2.0 mt-30 -48.97 -40.42 30.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -108.61 45.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.32 179.943 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB2' ' N ' ' A' ' 9' ' ' ASN . . . -113.92 47.4 1.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.926 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.97 150.03 42.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.926 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 2.86 6.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.552 1.817 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 87.13 -27.44 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 6.11 36.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.506 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.02 23.34 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.784 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -75.51 114.52 14.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.564 HG11 ' HD3' ' A' ' 50' ' ' LYS . 40.1 t -67.39 -18.46 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.4 t0 52.69 106.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.967 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -13.44 59.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.295 179.987 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.38 98.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.596 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -156.39 144.74 14.47 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 26' ' ' VAL . 18.3 Cg_endo -75.0 -85.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.551 1.816 . . . . 0.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.405 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -57.32 84.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 -179.983 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.507 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.1 m -113.97 117.25 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.626 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 7.0 p -123.71 170.18 9.0 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.709 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -75.01 38.01 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.517 1.798 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 27' ' ' THR . 4.7 tmtm? -177.45 -50.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 6.5 tt0 -64.45 -39.96 94.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.608 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -65.03 -34.13 77.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 108.285 -179.979 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.422 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 14.8 t30 -93.3 1.17 57.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 37.8 t30 -99.05 -37.31 9.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.596 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -64.43 -22.71 67.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.939 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.03 71.19 0.27 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.48 1.113 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 174.8 -155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.94 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.4 m -130.45 150.56 51.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 -179.987 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.709 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 50.0 t80 -115.72 175.46 5.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.637 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 5.2 t70 -178.99 142.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 -179.965 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.588 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 97.7 p -134.03 16.63 3.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 -179.98 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -65.06 -43.65 91.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 -179.998 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.818 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -147.57 132.71 9.09 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.98 -37.8 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.57 -29.54 0.76 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.133 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.818 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -100.76 168.9 8.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.436 0.727 . . . . 0.0 109.329 179.99 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 87.77 1.29 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.588 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -30.15 -52.6 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -94.25 121.8 36.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 108.322 179.975 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.784 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.2 p90 -144.24 164.87 29.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HD3' HG11 ' A' ' 19' ' ' VAL . 22.0 mtpt -70.27 164.4 53.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.494 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.3 Cg_endo -74.98 125.86 9.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.799 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.7 tt -35.37 139.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.754 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.7 OUTLIER -59.15 83.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.992 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -54.63 102.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 082 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.31 -55.13 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -77.44 75.2 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.958 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.25 -55.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 108.264 179.982 . . . . . . . . 2 2 . 1 . 082 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 t -165.6 162.67 19.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 -179.951 . . . . . . . . 1 1 . 1 . 082 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.999 . . . . . . . . 0 0 . 1 . 083 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 2' ' ' GLU . 14.8 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 1' ' ' GLU . 0.8 OUTLIER 160.18 160.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.29 -179.972 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.88 -171.34 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.79 HG22 ' OE1' ' A' ' 54' ' ' GLU . 1.7 p 175.25 93.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.37 48.36 0.7 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.466 HD12 ' H ' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -74.31 -168.45 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 p -55.34 -17.8 5.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.766 ' C ' ' HB2' ' A' ' 12' ' ' ALA . . . -114.13 -74.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.601 ' C ' ' O ' ' A' ' 8' ' ' ALA . 8.6 t-20 -23.96 -48.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.9 tt0 -71.13 -59.18 2.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' A' ' 8' ' ' ALA . 1.8 m -101.19 46.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 108.325 179.996 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.766 ' HB2' ' C ' ' A' ' 8' ' ' ALA . . . -113.57 52.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.897 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -92.72 148.94 37.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.897 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.1 0.05 9.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.458 1.767 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 1.041 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 88.81 -26.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.933 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.77 7.4 30.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.743 ' HB3' HG12 ' A' ' 13' ' ' VAL . 8.7 t0 -133.11 22.19 4.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.145 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.829 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 2.7 mmt180 -76.48 136.63 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.431 ' CG2' ' HB2' ' A' ' 50' ' ' LYS . 2.0 t -91.78 3.57 7.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.495 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 36.2 t0 43.44 93.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -14.26 52.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 108.301 -179.975 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.56 72.23 0.57 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CE2' ' HG2' ' A' ' 34' ' ' ARG . 1.1 t80 -136.28 143.64 44.5 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -90.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.538 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -56.17 93.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.624 -179.998 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.55 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 27.4 m -125.27 122.46 62.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.586 ' O ' ' HB3' ' A' ' 31' ' ' CYS . 3.5 p -133.07 168.55 17.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.634 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.5 Cg_endo -74.93 40.23 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 27' ' ' THR . 2.8 tmtm? 179.96 -35.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' CB ' ' OG1' ' A' ' 27' ' ' THR . 20.8 tt0 -84.57 -26.67 27.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.586 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.5 OUTLIER -83.18 -24.9 32.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.28 -179.969 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.526 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -95.1 0.85 54.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 37.5 t-20 -105.32 -38.66 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.595 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -60.23 -29.75 68.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.16 75.44 0.28 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.966 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 168.79 -159.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 7.3 m -123.16 149.87 44.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.3 179.998 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 74.5 t80 -114.49 174.7 5.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.7 t70 176.45 140.3 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 -179.944 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.609 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 83.9 p -129.66 17.19 5.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.947 179.985 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -51.51 69.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.576 HD13 HG13 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -142.58 137.74 15.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.93 -38.34 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.431 1.753 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' PRO . . . -37.56 -47.37 1.64 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 -179.931 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.041 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -87.6 170.02 12.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.758 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 95.21 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 -179.996 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.609 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.0 m0 -34.58 -50.23 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.965 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 5.7 t -98.11 101.56 13.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 108.309 -179.991 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.829 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 6.3 p90 -119.41 165.11 14.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.97 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 0.8 OUTLIER -67.24 163.87 41.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.476 ' CB ' ' HG2' ' A' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 119.25 5.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.447 1.762 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.787 HD23 ' C ' ' A' ' 52' ' ' LEU . 1.9 tt -35.15 134.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.737 ' N ' HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -63.07 78.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.257 -179.956 . . . . . . . . 3 3 . 1 . 083 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.79 ' OE1' HG22 ' A' ' 4' ' ' VAL . 5.5 pt-20 -51.83 111.34 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 -179.986 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -153.53 -66.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.91 165.07 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.952 . . . . . . . . 2 2 . 1 . 083 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.6 m -43.06 159.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 108.294 -179.957 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.3 t -39.74 158.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.373 -179.978 . . . . . . . . 1 1 . 1 . 083 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 179.959 . . . . . . . . 0 0 . 1 . 084 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 176.6 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 -179.971 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -133.97 158.71 42.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.581 HG22 ' H ' ' A' ' 5' ' ' GLY . 4.4 p -164.94 174.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.581 ' H ' HG22 ' A' ' 4' ' ' VAL . . . 155.06 -111.23 0.48 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.576 ' H ' HD23 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -40.34 107.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.696 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 2.0 p 163.6 -34.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 7' ' ' SER . . . 162.75 -28.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' ALA . 9.0 t-20 -53.32 -85.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.938 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.459 ' OE1' ' N ' ' A' ' 6' ' ' LEU . 5.4 pt20 -45.83 -24.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' C ' ' O ' ' A' ' 8' ' ' ALA . 2.1 m -112.49 44.63 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -101.94 44.03 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.724 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -90.57 143.54 29.29 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.951 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.724 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 5.15 4.15 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.96 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . 85.41 -17.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' C ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -95.17 8.25 43.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.503 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -133.32 18.82 4.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.706 ' HD2' ' CD2' ' A' ' 49' ' ' PHE . 9.8 mmt85 -75.03 116.95 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 20' ' ' ASP . 18.8 t -77.95 -10.32 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HB2' ' CG ' ' A' ' 46' ' ' PRO . 4.7 t70 58.95 114.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -8.91 59.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.31 179.989 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.34 79.83 0.08 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.601 ' CZ ' ' HG3' ' A' ' 34' ' ' ARG . 0.7 OUTLIER -146.8 146.0 24.83 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 111.014 -179.999 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -80.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.559 1.82 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.705 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -64.73 96.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 -179.961 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 23' ' ' TYR . 17.5 m -125.86 125.16 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.564 ' HA ' ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -140.04 173.49 4.98 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 -179.958 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.636 ' HA ' ' CD2' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.99 39.37 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -176.36 -47.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.937 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 0.0 OUTLIER -70.84 -39.11 73.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.9 OUTLIER -72.46 -27.4 62.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 108.259 -179.954 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -95.9 4.22 52.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.7 t30 -101.96 -39.75 7.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.601 ' HG3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -61.06 -23.15 65.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.82 73.39 0.6 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.127 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.14 -153.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -179.985 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 1.6 m -126.87 150.0 49.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.636 ' CD2' ' HA ' ' A' ' 28' ' ' PRO . 80.8 t80 -118.06 174.21 6.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' N ' ' CG ' ' A' ' 38' ' ' PHE . 16.7 t70 178.05 143.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.659 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 96.4 p -139.93 18.3 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -31.46 70.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.483 HD13 ' CG2' ' A' ' 45' ' ' VAL . 0.9 OUTLIER -154.76 129.9 5.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.936 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.439 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -36.57 2.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.39 -35.65 0.83 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.96 HG11 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -97.83 168.83 9.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.586 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.1 Cg_endo -75.07 88.77 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 110.955 -179.927 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.659 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 8.2 m0 -28.47 -58.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.484 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.5 t -89.76 118.93 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 108.289 179.997 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.706 ' CD2' ' HD2' ' A' ' 18' ' ' ARG . 7.5 p90 -140.86 168.36 19.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 2.0 mttt -71.01 163.78 62.41 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.4 Cg_endo -75.03 125.59 9.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 -179.94 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -33.14 118.31 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -87.16 40.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 084 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.49 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -126.12 39.92 3.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.997 . . . . . . . . 3 3 . 1 . 084 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -120.5 102.51 8.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.97 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -92.11 -55.37 3.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.7 p -81.55 76.85 8.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 108.285 -179.984 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 m -123.82 154.31 39.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.376 -179.967 . . . . . . . . 1 1 . 1 . 084 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.983 179.949 . . . . . . . . 0 0 . 1 . 085 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 53.02 179.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.551 ' CD2' ' HB ' ' A' ' 4' ' ' VAL . 35.1 p90 -113.5 -46.05 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.551 ' HB ' ' CD2' ' A' ' 3' ' ' TYR . 2.2 t -152.71 132.54 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.84 102.11 0.16 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.807 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -87.22 130.9 34.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 0.773 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 6' ' ' LEU . 3.3 p 160.27 -26.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.857 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -169.17 -46.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -53.93 -65.59 0.54 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.496 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -71.76 -18.92 62.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.989 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.3 38.84 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 108.351 179.973 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.857 ' HB2' ' O ' ' A' ' 8' ' ' ALA . . . -105.7 45.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.871 HG12 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -89.63 148.1 39.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.871 ' HD2' HG12 ' A' ' 13' ' ' VAL . 18.3 Cg_endo -75.01 0.81 8.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 87.89 -25.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HG3' ' HG2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -88.92 6.62 38.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.99 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.708 ' HB3' HG12 ' A' ' 13' ' ' VAL . 10.3 t0 -133.23 22.75 4.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.832 ' CZ ' ' CE2' ' A' ' 49' ' ' PHE . 3.2 mmt180 -75.89 131.64 39.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.513 HG11 ' HD3' ' A' ' 50' ' ' LYS . 76.0 t -85.62 -8.95 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' HB2' ' HG3' ' A' ' 46' ' ' PRO . 2.8 t70 53.47 105.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -14.24 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 108.312 179.977 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.92 73.02 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.943 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -138.94 145.48 45.69 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 111.017 179.996 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -79.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.733 ' O ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.76 98.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.633 179.955 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 ' HB2' ' A' ' 48' ' ' CYS . 15.5 m -126.11 126.49 69.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.612 ' O ' ' CD2' ' A' ' 38' ' ' PHE . 5.5 p -131.28 170.04 12.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.939 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.696 ' HA ' ' CD1' ' A' ' 38' ' ' PHE . 18.2 Cg_endo -75.04 38.89 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -178.4 -51.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' OG1' ' A' ' 27' ' ' THR . 4.4 tt0 -64.05 -41.14 97.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.609 ' HB3' ' O ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -63.89 -37.23 86.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 108.304 -179.999 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.434 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 9.9 t30 -87.96 -0.52 57.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -96.74 -35.78 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.567 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -65.79 -24.48 66.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.3 71.36 0.29 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER 175.0 -157.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.977 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.441 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 2.1 m -125.77 152.13 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 108.274 179.987 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CD1' ' HA ' ' A' ' 28' ' ' PRO . 54.5 t80 -118.09 175.29 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 11.0 t70 178.79 144.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.614 ' HA ' ' CE2' ' A' ' 47' ' ' TRP . 87.4 p -135.59 15.78 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -64.56 -40.47 95.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.766 HD13 ' CG1' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -149.21 130.55 7.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' A' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 -37.99 1.8 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.54 1.811 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.26 -28.45 0.54 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.766 ' CG1' HD13 ' A' ' 42' ' ' ILE . 0.8 OUTLIER -102.3 169.94 6.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 47' ' ' TRP . 18.5 Cg_endo -74.99 89.95 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.614 ' CE2' ' HA ' ' A' ' 40' ' ' SER . 6.8 m0 -33.05 -53.36 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 107.999 -179.971 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.544 ' HB2' HG11 ' A' ' 26' ' ' VAL . 4.7 t -94.43 110.63 22.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.832 ' CE2' ' CZ ' ' A' ' 18' ' ' ARG . 5.7 p90 -131.37 165.62 23.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.513 ' HD3' HG11 ' A' ' 19' ' ' VAL . 22.1 mtpt -71.59 164.44 57.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 50' ' ' LYS . 18.5 Cg_endo -74.95 125.31 9.27 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.801 HD23 ' N ' ' A' ' 53' ' ' GLN . 2.3 tt -35.25 137.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.801 ' N ' HD23 ' A' ' 52' ' ' LEU . 1.1 mp0 -64.65 77.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.954 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.9 OUTLIER -63.48 86.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.973 . . . . . . . . 3 3 . 1 . 085 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.13 65.82 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.33 -58.89 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.945 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.5 m -119.52 -59.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.266 -179.966 . . . . . . . . 1 1 . 1 . 085 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -177.01 -42.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.4 -179.98 . . . . . . . . 2 2 . 1 . 085 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 179.987 . . . . . . . . 0 0 . 1 stop_ save_